Geometry & MOs

Info

ID:

95606

PubChem CID:

50010641

Reduced:

O4N5C33H39 (1)

Stoich.:

A4B5C33D39 (1)

Weight, g/mol:

589.245582

ΔHf, kcal/mol:

-132.78

Dipole, Da:

11.46

IP(EA), eV:

 -8.43(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(4-chlorobenzoyl)amino]-3-methylphenyl]-1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC=CC=C4C)C

DOS

IR

Vibrations