Geometry & MOs

Info

ID:

102354

PubChem CID:

50066620

Reduced:

ClF2O3N4C30H31 (1)

Stoich.:

AB2C3D4E30F31 (1)

Weight, g/mol:

577.250061

ΔHf, kcal/mol:

-184.55

Dipole, Da:

10.72

IP(EA), eV:

 -8.96(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-acetamidophenyl)-1-[1-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-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)NC4=C(C=C(C=C4)Cl)C

DOS

IR

Vibrations