Geometry & MOs

Info

ID:

103937

PubChem CID:

50085897

Reduced:

O5N6C41H50 (1)

Stoich.:

A5B6C41D50 (1)

Weight, g/mol:

744.363533

ΔHf, kcal/mol:

-189.48

Dipole, Da:

6.28

IP(EA), eV:

 -8.63(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methoxy-4-[(3-methylbenzoyl)amino]phenyl]-1-[1-[1-[2-methyl-5-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5)NC(=O)C6CCCCC6

DOS

IR

Vibrations