Geometry & MOs

Info

ID:

94576

PubChem CID:

50002401

Reduced:

O5N6C36H50 (1)

Stoich.:

A5B6C36D50 (1)

Weight, g/mol:

578.321668

ΔHf, kcal/mol:

-229.22

Dipole, Da:

12.0

IP(EA), eV:

 -8.73(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-acetamidoanilino)-3-oxopropyl]-1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC=C3C(=O)N4CCC(CC4)C

DOS

IR

Vibrations