Geometry & MOs

Info

ID:

112018

PubChem CID:

50392186

Reduced:

N6O6C43H56 (1)

Stoich.:

A6B6C43D56 (1)

Weight, g/mol:

638.298346

ΔHf, kcal/mol:

-244.07

Dipole, Da:

8.69

IP(EA), eV:

 -8.4(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=CC(=C5)C)OC)C

DOS

IR

Vibrations