Geometry & MOs

Info

ID:

215552

PubChem CID:

85084897

Reduced:

N7O8C60H79 (1)

Stoich.:

A7B8C60D79 (1)

Weight, g/mol:

1027.04632

ΔHf, kcal/mol:

-384.94

Dipole, Da:

10.53

IP(EA), eV:

 -8.14(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-amino-3,3,5,5-tetrabromocyclohexen-1-yl)-1-[4-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)piperidin-1-yl]-1-oxopropan-2-yl]-4-[2-oxo-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-3-yl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CCCC12CC(CC(C1)(CCC)C(=O)NC3=CC4=C(C=C3)N(C5=C4C=C(C=C5)NC(=O)C6(CC7(CC(C6)(C(=O)NC7=O)CCC)CCC)CCC)CC(=O)NC8=CC=CC(=C8)C(=O)NCCC)(C(=O)NC2=O)CCC

DOS

IR

Vibrations