Geometry & MOs

Info

ID:

112974

PubChem CID:

50427814

Reduced:

N6O6C37H44 (1)

Stoich.:

A6B6C37D44 (1)

Weight, g/mol:

710.379183

ΔHf, kcal/mol:

-202.93

Dipole, Da:

8.18

IP(EA), eV:

 -8.12(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)OC)NC(=O)C)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations