Geometry & MOs

Info

ID:

110471

PubChem CID:

50325805

Reduced:

O3N4C28H38 (1)

Stoich.:

A3B4C28D38 (1)

Weight, g/mol:

581.276883

ΔHf, kcal/mol:

-132.6

Dipole, Da:

4.89

IP(EA), eV:

 -8.7(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]-1-[1-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC(C)C

DOS

IR

Vibrations