Geometry & MOs

Info

ID:

99262

PubChem CID:

50049518

Reduced:

FN3O3C21H22 (2)

Stoich.:

AB3C3D21E22 (2)

Weight, g/mol:

772.299631

ΔHf, kcal/mol:

-265.66

Dipole, Da:

4.42

IP(EA), eV:

 -8.66(-0.61)

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-fluorobenzoyl)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)C(=O)NC6=CC=CC=C6)OC

DOS

IR

Vibrations