Geometry & MOs

Info

ID:

111768

PubChem CID:

50380841

Reduced:

Cl2N5O5C29H35 (1)

Stoich.:

A2B5C5D29E35 (1)

Weight, g/mol:

595.300599

ΔHf, kcal/mol:

-194.45

Dipole, Da:

2.99

IP(EA), eV:

 -8.99(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-1-[1-[2-methyl-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)Cl)Cl)C(=O)N4CCOCC4

DOS

IR

Vibrations