Geometry & MOs

Info

ID:

110718

PubChem CID:

50337362

Reduced:

O5N6C32H44 (1)

Stoich.:

A5B6C32D44 (1)

Weight, g/mol:

646.384269

ΔHf, kcal/mol:

-220.45

Dipole, Da:

6.41

IP(EA), eV:

 -9.02(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-(cyclohexanecarbonylamino)-3-methylanilino]-3-oxopropyl]-1-[2-[2-methyl-3-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC=C3C(=O)NC(C)C)C

DOS

IR

Vibrations