Geometry & MOs

Info

ID:

110601

PubChem CID:

50332411

Reduced:

O4N5C33H43 (1)

Stoich.:

A4B5C33D43 (1)

Weight, g/mol:

629.276883

ΔHf, kcal/mol:

-159.53

Dipole, Da:

6.44

IP(EA), eV:

 -8.82(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(4-chlorobenzoyl)amino]-3-methylphenyl]-1-[1-[2-methyl-3-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCC2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)N5CCCC5

DOS

IR

Vibrations