Geometry & MOs

Info

ID:

95487

PubChem CID:

50009760

Reduced:

O5N6C33H44 (1)

Stoich.:

A5B6C33D44 (1)

Weight, g/mol:

668.23218

ΔHf, kcal/mol:

-200.96

Dipole, Da:

12.04

IP(EA), eV:

 -9.01(-0.47)

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-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC(=C4C)C(=O)NC(C)C

DOS

IR

Vibrations