Geometry & MOs

Info

ID:

94584

PubChem CID:

50002432

Reduced:

O5N6C31H42 (1)

Stoich.:

A5B6C31D42 (1)

Weight, g/mol:

608.332233

ΔHf, kcal/mol:

-212.07

Dipole, Da:

6.29

IP(EA), eV:

 -8.92(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-acetamido-3-methoxyanilino)-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)NC

DOS

IR

Vibrations