Geometry & MOs

Info

ID:

99263

PubChem CID:

50049527

Reduced:

F4O5N6H40C41 (1)

Stoich.:

A4B5C6D40E41 (1)

Weight, g/mol:

784.319618

ΔHf, kcal/mol:

-316.37

Dipole, Da:

3.84

IP(EA), eV:

 -8.74(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)NC(=O)C6=CC=CC=C6F)F

DOS

IR

Vibrations