Geometry & MOs

Info

ID:

104288

PubChem CID:

50103930

Reduced:

O5N6C27H34 (1)

Stoich.:

A5B6C27D34 (1)

Weight, g/mol:

555.261232

ΔHf, kcal/mol:

-196.8

Dipole, Da:

5.66

IP(EA), eV:

 -8.38(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-1-[1-[2-methyl-4-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=C(C=C3)NC(=O)C

DOS

IR

Vibrations