Geometry & MOs

Info

ID:

103743

PubChem CID:

50072639

Reduced:

Cl2O4N5C34H39 (1)

Stoich.:

A2B4C5D34E39 (1)

Weight, g/mol:

640.337319

ΔHf, kcal/mol:

-154.12

Dipole, Da:

9.38

IP(EA), eV:

 -8.81(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-5-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-[4-methyl-3-(propanoylamino)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=CC(=C4)Cl)Cl

DOS

IR

Vibrations