Geometry & MOs

Info

ID:

100030

PubChem CID:

50057672

Reduced:

F3O5N6C36H39 (1)

Stoich.:

A3B5C6D36E39 (1)

Weight, g/mol:

784.319618

ΔHf, kcal/mol:

-300.69

Dipole, Da:

5.04

IP(EA), eV:

 -8.82(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]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=C(C=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)NC(=O)C)F

DOS

IR

Vibrations