Geometry & MOs

Info

ID:

94193

PubChem CID:

49998959

Reduced:

O5N6C36H50 (1)

Stoich.:

A5B6C36D50 (1)

Weight, g/mol:

654.352969

ΔHf, kcal/mol:

-221.01

Dipole, Da:

15.52

IP(EA), eV:

 -8.71(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-[4-methyl-3-[(4-methylbenzoyl)amino]anilino]-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)NCC(=O)NC3=C(C=CC=C3C(=O)N4CCCC(C4)C)C

DOS

IR

Vibrations