Geometry & MOs

Info

ID:

111081

PubChem CID:

50351394

Reduced:

Cl2O4N5C32H43 (1)

Stoich.:

A2B4C5D32E43 (1)

Weight, g/mol:

664.358448

ΔHf, kcal/mol:

-193.08

Dipole, Da:

3.65

IP(EA), eV:

 -8.86(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-methoxy-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-3-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations