Geometry & MOs

Info

ID:

101394

PubChem CID:

50064661

Reduced:

F3O5N6C40H45 (1)

Stoich.:

A3B5C6D40E45 (1)

Weight, g/mol:

770.303968

ΔHf, kcal/mol:

-318.78

Dipole, Da:

7.49

IP(EA), eV:

 -8.67(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)NC(=O)C6CCCCC6)F

DOS

IR

Vibrations