Geometry & MOs

Info

ID:

108299

PubChem CID:

50240358

Reduced:

O4N5C34H39 (1)

Stoich.:

A4B5C34D39 (1)

Weight, g/mol:

595.315855

ΔHf, kcal/mol:

-120.77

Dipole, Da:

10.84

IP(EA), eV:

 -8.74(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-4-(phenylcarbamoyl)anilino]-2-oxoethyl]-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC(=C4)C(=O)N5CCCCC5

DOS

IR

Vibrations