Geometry & MOs

Info

ID:	379030
PubChem CID:	134228942
Reduced:	SO2N4H16C20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	984.434373
ΔH_f, kcal/mol:	92.95
Dipole, Da:	4.74
IP(EA), eV:	-8.85(-1.59)
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-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]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

CC1=C2C(=CC=C1)SC=C2CN3C(=C(N=C3C4=CN=CC=C4)C)C(=O)N=O

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

CC1=C2C(=CC=C1)SC=C2CN3C(=C(N=C3C4=CN=CC=C4)C)C(=O)N=O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):