Geometry & MOs

Info

ID:	49813
PubChem CID:	11533875
Reduced:	BrSSiN2O2C25H33 (1)
Stoich.:	ABCD2E2F25G33 (1)
Weight, g/mol:	534.205417
ΔH_f, kcal/mol:	-68.48
Dipole, Da:	4.33
IP(EA), eV:	-8.72(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[7-[4-(trifluoromethyl)pyrimidin-2-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butan-2-yl]acetamide

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)[Si](C)(C)O[C@@H](C1=CC=CC=C1)[C@H](C2=NC(=CS2)Br)NCC3=CC=C(C=C3)OC

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)[Si](C)(C)O[C@@H](C1=CC=CC=C1)[C@H](C2=NC(=CS2)Br)NCC3=CC=C(C=C3)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):