Geometry & MOs

Info

ID:

108206

PubChem CID:

50235495

Reduced:

O5N6C40H44 (1)

Stoich.:

A5B6C40D44 (1)

Weight, g/mol:

593.22051

ΔHf, kcal/mol:

-146.14

Dipole, Da:

10.04

IP(EA), eV:

 -8.39(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-acetamido-3-chlorophenyl)-1-[2-[4-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=CC=C5)C

DOS

IR

Vibrations