Geometry & MOs

Info

ID:

111906

PubChem CID:

50386189

Reduced:

O5N6C40H48 (1)

Stoich.:

A5B6C40D48 (1)

Weight, g/mol:

710.359197

ΔHf, kcal/mol:

-177.52

Dipole, Da:

6.14

IP(EA), eV:

 -8.77(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[3-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-[(4-fluorophenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC=C4C(=O)NC5=CC=CC=C5)C(=O)NC6CCCC6

DOS

IR

Vibrations