Geometry & MOs

Info

ID:

119328

PubChem CID:

50678652

Reduced:

Cl2N5O5C33H35 (1)

Stoich.:

A2B5C5D33E35 (1)

Weight, g/mol:

618.176038

ΔHf, kcal/mol:

-165.62

Dipole, Da:

4.27

IP(EA), eV:

 -8.74(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(5-carbamoyl-2-chloroanilino)-2-oxoethyl]-1-[2-[2-chloro-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=CC(=C(C=C2)Cl)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)Cl

DOS

IR

Vibrations