Geometry & MOs

Info

ID:

376512

PubChem CID:

134222529

Reduced:

N6O7C52H78 (1)

Stoich.:

A6B7C52D78 (1)

Weight, g/mol:

622.189545

ΔHf, kcal/mol:

-189.73

Dipole, Da:

16.39

IP(EA), eV:

 -8.41(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-[3-(2-chlorophenyl)-2-fluorophenyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCOC(=O)C(C)(CC)CC(C)(C)C(=O)OCCN(CC)C1=CC=C(C=C1)N=NC2=CC(=C(C=C2C)N=NC3=CC=C(C=C3)[N+](=O)[O-])OC

DOS

IR

Vibrations