Geometry & MOs

Info

ID:	379031
PubChem CID:	134337191
Reduced:	F3N4O13C50H63 (1)
Stoich.:	A3B4C13D50E63 (1)
Weight, g/mol:	762.366293
ΔH_f, kcal/mol:	-628.08
Dipole, Da:	4.69
IP(EA), eV:	-8.76(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[2-[3-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]phenoxy]-6-(trifluoromethyl)pyridin-4-yl]methyl]carbamate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)(C)OC(=O)NCC1=CC(=NC(=C1)OC2=CC=CC(=C2)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(F)(F)F

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)(C)OC(=O)NCC1=CC(=NC(=C1)OC2=CC=CC(=C2)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(F)(F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):