Geometry & MOs

Info

ID:

112969

PubChem CID:

50427809

Reduced:

N3O3C21H23 (2)

Stoich.:

A3B3C21D23 (2)

Weight, g/mol:

748.338461

ΔHf, kcal/mol:

-172.27

Dipole, Da:

3.26

IP(EA), eV:

 -8.35(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(4-fluorobenzoyl)amino]-4-methoxyphenyl]-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)C5=CC=CC=C5)C(=O)NC6=CC=CC=C6

DOS

IR

Vibrations