Geometry & MOs

Info

ID:	172378
PubChem CID:	75500978
Reduced:	ClFOS2N3C12H13 (1)
Stoich.:	ABCD2E3F12G13 (1)
Weight, g/mol:	330.076217
ΔH_f, kcal/mol:	-18.41
Dipole, Da:	7.69
IP(EA), eV:	-8.57(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanylmethyl]piperidin-2-one

Drug info:

PubChemData

Smile

CN(C)C1=NC(=NS1)CS(=O)CC2=C(C=C(C=C2)F)Cl

DOS

IR

Vibrations