Geometry & MOs

Info

ID:	155508
PubChem CID:	56365844
Reduced:	ClSF2N2O4H17C20 (1)
Stoich.:	ABC2D2E4F17G20 (1)
Weight, g/mol:	460.049369
ΔH_f, kcal/mol:	-215.58
Dipole, Da:	1.56
IP(EA), eV:	-9.58(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(benzenesulfonyl)-N-[3-chloro-2-(difluoromethylsulfanyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=C(C(=CC=C3)Cl)SC(F)F

DOS

IR

Vibrations