Geometry & MOs

Info

ID:

104278

PubChem CID:

50103914

Reduced:

N6O6C33H38 (1)

Stoich.:

A6B6C33D38 (1)

Weight, g/mol:

618.235746

ΔHf, kcal/mol:

-202.53

Dipole, Da:

10.8

IP(EA), eV:

 -8.26(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[2-[4-[(2-chlorobenzoyl)amino]-3-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC(=CC=C4)OC)C

DOS

IR

Vibrations