Geometry & MOs

Info

ID:

95145

PubChem CID:

50006664

Reduced:

O4N5C34H47 (1)

Stoich.:

A4B5C34D47 (1)

Weight, g/mol:

629.25356

ΔHf, kcal/mol:

-184.6

Dipole, Da:

3.32

IP(EA), eV:

 -8.68(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-(3,4-dichlorophenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC(C)CC)C

DOS

IR

Vibrations