Geometry & MOs

Info

ID:

106425

PubChem CID:

50162985

Reduced:

N3O3C20H28 (2)

Stoich.:

A3B3C20D28 (2)

Weight, g/mol:

700.431219

ΔHf, kcal/mol:

-273.66

Dipole, Da:

3.63

IP(EA), eV:

 -8.53(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCCCC5)OC

DOS

IR

Vibrations