Geometry & MOs

Info

ID:

99815

PubChem CID:

50055176

Reduced:

O5N6C36H44 (1)

Stoich.:

A5B6C36D44 (1)

Weight, g/mol:

638.321668

ΔHf, kcal/mol:

-179.34

Dipole, Da:

11.15

IP(EA), eV:

 -8.54(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]-N-[2-[2-methyl-3-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC(=C4C)C(=O)NCC(C)C

DOS

IR

Vibrations