Geometry & MOs

Info

ID:

109495

PubChem CID:

50286441

Reduced:

F2O5N6C39H40 (1)

Stoich.:

A2B5C6D39E40 (1)

Weight, g/mol:

740.293403

ΔHf, kcal/mol:

-239.91

Dipole, Da:

6.35

IP(EA), eV:

 -8.9(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[4-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[3-[(3-fluorophenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NC4=CC(=CC=C4)F)C)NC(=O)C5=CC(=CC=C5)F

DOS

IR

Vibrations