Geometry & MOs

Info

ID:

100521

PubChem CID:

50062160

Reduced:

F3O4N5C35H38 (1)

Stoich.:

A3B4C5D35E38 (1)

Weight, g/mol:

653.262517

ΔHf, kcal/mol:

-267.67

Dipole, Da:

10.17

IP(EA), eV:

 -8.92(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3,4-difluorophenyl)-1-[1-[1-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]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)F)C

DOS

IR

Vibrations