Geometry & MOs

Info

ID:

106055

PubChem CID:

50147887

Reduced:

O5N6C35H48 (1)

Stoich.:

A5B6C35D48 (1)

Weight, g/mol:

646.384269

ΔHf, kcal/mol:

-221.03

Dipole, Da:

10.97

IP(EA), eV:

 -8.74(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-methyl-6-(4-methylpiperidine-1-carbonyl)anilino]-3-oxopropyl]-1-[2-[2-methyl-4-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=CC=C3)NC(=O)C4CCCCC4)C

DOS

IR

Vibrations