Geometry & MOs

Info

ID:	192453
PubChem CID:	78271057
Reduced:	SN2O5H14C17 (1)
Stoich.:	AB2C5D14E17 (1)
Weight, g/mol:	332.045334
ΔH_f, kcal/mol:	-108.72
Dipole, Da:	2.94
IP(EA), eV:	-9.18(-2.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-fluorophenyl)-2-sulfanylidene-5,6,7,8-tetrahydro-4aH-[1]benzothiolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NS(=O)(=O)C2C=CC3=NC(=O)C=C(C3=C2)C(=O)O

DOS

IR

Vibrations