Geometry & MOs

Info

ID:

99892

PubChem CID:

50056054

Reduced:

O5N6C35H42 (1)

Stoich.:

A5B6C35D42 (1)

Weight, g/mol:

624.306018

ΔHf, kcal/mol:

-176.27

Dipole, Da:

11.65

IP(EA), eV:

 -8.57(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]-N-[2-oxo-2-[2-(pyrrolidine-1-carbonyl)anilino]ethyl]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(=O)NCC(C)C

DOS

IR

Vibrations