Geometry & MOs

Info

ID:

116653

PubChem CID:

50570463

Reduced:

Cl2N5O5C33H35 (1)

Stoich.:

A2B5C5D33E35 (1)

Weight, g/mol:

632.191688

ΔHf, kcal/mol:

-163.81

Dipole, Da:

4.27

IP(EA), eV:

 -8.91(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3-carbamoyl-4-chloroanilino)-2-oxoethyl]-1-[1-[4-chloro-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)N2CCOCC2)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)NC(=O)C5=CC=CC=C5)Cl

DOS

IR

Vibrations