Geometry & MOs

Info

ID:

110854

PubChem CID:

50341793

Reduced:

O5N6C32H42 (1)

Stoich.:

A5B6C32D42 (1)

Weight, g/mol:

694.360946

ΔHf, kcal/mol:

-208.12

Dipole, Da:

5.07

IP(EA), eV:

 -8.14(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-chloro-3-(3-methylpiperidine-1-carbonyl)anilino]-3-oxopropyl]-1-[1-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=C(C=C3)NC(=O)C)C(=O)N4CCCC4

DOS

IR

Vibrations