Geometry & MOs

Info

ID:

103233

PubChem CID:

50071345

Reduced:

N3O3C22H25 (2)

Stoich.:

A3B3C22D25 (2)

Weight, g/mol:

744.363533

ΔHf, kcal/mol:

-189.38

Dipole, Da:

10.91

IP(EA), eV:

 -8.26(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations