Geometry & MOs

Info

ID:

111972

PubChem CID:

50389243

Reduced:

O5N6C42H52 (1)

Stoich.:

A5B6C42D52 (1)

Weight, g/mol:

700.431219

ΔHf, kcal/mol:

-191.86

Dipole, Da:

6.17

IP(EA), eV:

 -8.19(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-3-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=C(C=C5)NC(=O)C6=CC=C(C=C6)C)C

DOS

IR

Vibrations