Geometry & MOs

Info

ID:

97381

PubChem CID:

50030926

Reduced:

SF2O3N4C30H32 (1)

Stoich.:

AB2C3D4E30F32 (1)

Weight, g/mol:

563.234411

ΔHf, kcal/mol:

-138.06

Dipole, Da:

7.55

IP(EA), eV:

 -8.49(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-carbamoyl-2-methylphenyl)-1-[2-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=CC=C4)SC

DOS

IR

Vibrations