Geometry & MOs

Info

ID:

92535

PubChem CID:

49987839

Reduced:

N3O3C18H25 (2)

Stoich.:

A3B3C18D25 (2)

Weight, g/mol:

672.399919

ΔHf, kcal/mol:

-256.66

Dipole, Da:

10.73

IP(EA), eV:

 -8.74(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-[2-methyl-6-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)OC)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCCC4)C

DOS

IR

Vibrations