Geometry & MOs

Info

ID:

92442

PubChem CID:

49986232

Reduced:

FO5N6C40H53 (1)

Stoich.:

AB5C6D40E53 (1)

Weight, g/mol:

742.365425

ΔHf, kcal/mol:

-266.7

Dipole, Da:

9.38

IP(EA), eV:

 -8.79(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-[(3,4-difluorophenyl)carbamoyl]-6-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)F)NC(=O)C6CCCCC6

DOS

IR

Vibrations