Geometry & MOs

Info

ID:

104000

PubChem CID:

50086853

Reduced:

O5N6C43H48 (1)

Stoich.:

A5B6C43D48 (1)

Weight, g/mol:

714.352969

ΔHf, kcal/mol:

-160.74

Dipole, Da:

5.77

IP(EA), eV:

 -8.21(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-benzamido-3-methylphenyl)-1-[1-[2-[2-methyl-5-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=C(C=CC(=C5)C(=O)NC6=CC=CC=C6C)C)C

DOS

IR

Vibrations