Geometry & MOs

Info

ID:

109987

PubChem CID:

50304143

Reduced:

O5N6C36H42 (1)

Stoich.:

A5B6C36D42 (1)

Weight, g/mol:

658.267046

ΔHf, kcal/mol:

-178.95

Dipole, Da:

5.67

IP(EA), eV:

 -8.2(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-(3-carbamoyl-2-methylanilino)-2-oxoethyl]piperidine-4-carbonyl]-N-[4-[(4-chlorobenzoyl)amino]-3-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=CC=CC(=C5C)C(=O)N)C

DOS

IR

Vibrations