Geometry & MOs

Info

ID:

95752

PubChem CID:

50013567

Reduced:

N3O3C19H24 (2)

Stoich.:

A3B3C19D24 (2)

Weight, g/mol:

654.329646

ΔHf, kcal/mol:

-221.23

Dipole, Da:

6.72

IP(EA), eV:

 -8.45(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-chloro-3-(2-methylpropylcarbamoyl)anilino]-3-oxopropyl]-1-[2-[5-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)OC)NC(=O)C4=CC=C(C=C4)C

DOS

IR

Vibrations