Geometry & MOs

Info

ID:	155503
PubChem CID:	56365839
Reduced:	ClNOSF4H8C14 (1)
Stoich.:	ABCDE4F8G14 (1)
Weight, g/mol:	485.044618
ΔH_f, kcal/mol:	-193.88
Dipole, Da:	2.09
IP(EA), eV:	-9.37(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-2-(difluoromethylsulfanyl)phenyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)SC(F)F)NC(=O)C2=C(C=CC(=C2)F)F

DOS

IR

Vibrations