Geometry & MOs

Info

ID:

114751

PubChem CID:

50495631

Reduced:

F3O4N5C32H34 (1)

Stoich.:

A3B4C5D32E34 (1)

Weight, g/mol:

613.231217

ΔHf, kcal/mol:

-258.48

Dipole, Da:

7.93

IP(EA), eV:

 -9.06(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-[1-[3-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4=CC(=C(C=C4)F)F)F

DOS

IR

Vibrations