Geometry & MOs

Info

ID:

120633

PubChem CID:

50737921

Reduced:

O4N5C27H35 (1)

Stoich.:

A4B5C27D35 (1)

Weight, g/mol:

624.282696

ΔHf, kcal/mol:

-160.52

Dipole, Da:

2.39

IP(EA), eV:

 -8.89(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-(dimethylcarbamoyl)phenyl]-1-[1-[1-[2-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC=C3C(=O)N

DOS

IR

Vibrations