Geometry & MOs

Info

ID:

318956

PubChem CID:

126653868

Reduced:

O3N6C32H32 (1)

Stoich.:

A3B6C32D32 (1)

Weight, g/mol:

548.228437

ΔHf, kcal/mol:

-25.83

Dipole, Da:

12.15

IP(EA), eV:

 -8.41(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-imidazo[1,2-a]pyrimidin-3-yl-1-[2-[(3S)-3-[(6-methylpyridin-2-yl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC(=O)[C@@H]2C3CCC(C3)N2C(=O)CN4C=C(C5=C4C=CC(=C5)C6=CC7=C(CCC7)N=C6)C(=O)N

DOS

IR

Vibrations