Geometry & MOs

Info

ID:

111371

PubChem CID:

50363583

Reduced:

O5N6C33H42 (1)

Stoich.:

A5B6C33D42 (1)

Weight, g/mol:

708.26348

ΔHf, kcal/mol:

-201.65

Dipole, Da:

6.45

IP(EA), eV:

 -8.9(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-bromo-3-(propan-2-ylcarbamoyl)phenyl]-1-[1-[2-[2-methyl-3-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)N5CCCC5

DOS

IR

Vibrations