Geometry & MOs

Info

ID:

106567

PubChem CID:

50169409

Reduced:

O5N6C39H46 (1)

Stoich.:

A5B6C39D46 (1)

Weight, g/mol:

708.363533

ΔHf, kcal/mol:

-168.97

Dipole, Da:

9.79

IP(EA), eV:

 -8.79(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-benzamido-4-methoxyphenyl)-1-[1-[2-[4-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC=C5C(=O)NC6=CC=CC=C6

DOS

IR

Vibrations