Geometry & MOs

Info

ID:

112869

PubChem CID:

50423423

Reduced:

N6O6C35H48 (1)

Stoich.:

A6B6C35D48 (1)

Weight, g/mol:

646.384269

ΔHf, kcal/mol:

-253.06

Dipole, Da:

5.23

IP(EA), eV:

 -8.98(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[3-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC(=C3C)C(=O)N4CCOCC4)C

DOS

IR

Vibrations