Geometry & MOs

Info

ID:

112859

PubChem CID:

50422775

Reduced:

F2N6O6C39H44 (1)

Stoich.:

A2B6C6D39E44 (1)

Weight, g/mol:

768.324703

ΔHf, kcal/mol:

-288.38

Dipole, Da:

8.81

IP(EA), eV:

 -9.06(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[3-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[3-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC(=C4C)C(=O)N5CCOCC5)C(=O)NC6=C(C=CC(=C6)F)F

DOS

IR

Vibrations