Geometry & MOs

Info

ID:

108387

PubChem CID:

50243216

Reduced:

F3O3N4C29H29 (1)

Stoich.:

A3B3C4D29E29 (1)

Weight, g/mol:

732.343547

ΔHf, kcal/mol:

-214.91

Dipole, Da:

7.35

IP(EA), eV:

 -8.96(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NC4=C(C=CC=C4F)F)C)F

DOS

IR

Vibrations