Geometry & MOs

Info

ID:

110985

PubChem CID:

50347292

Reduced:

O4N5C29H39 (1)

Stoich.:

A4B5C29D39 (1)

Weight, g/mol:

674.415569

ΔHf, kcal/mol:

-164.56

Dipole, Da:

5.2

IP(EA), eV:

 -8.97(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-3-oxopropyl]-1-[1-[2-methyl-3-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC=C3)C

DOS

IR

Vibrations