Geometry & MOs

Info

ID:

113063

PubChem CID:

50430522

Reduced:

N2O2C13H16 (3)

Stoich.:

A2B2C13D16 (3)

Weight, g/mol:

598.267046

ΔHf, kcal/mol:

-211.04

Dipole, Da:

7.87

IP(EA), eV:

 -8.88(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=C(C=C3)C(=O)N4CCOCC4)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations