Geometry & MOs

Info

ID:

109986

PubChem CID:

50304142

Reduced:

O5N6C36H42 (1)

Stoich.:

A5B6C36D42 (1)

Weight, g/mol:

638.321668

ΔHf, kcal/mol:

-177.8

Dipole, Da:

3.64

IP(EA), eV:

 -8.23(-0.3)

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-[3-methyl-4-[(3-methylbenzoyl)amino]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=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