Geometry & MOs

Info

ID:	56294
PubChem CID:	17424997
Reduced:	SN2O4C23H28 (1)
Stoich.:	AB2C4D23E28 (1)
Weight, g/mol:	350.075885
ΔH_f, kcal/mol:	-128.94
Dipole, Da:	8.73
IP(EA), eV:	-9.19(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-2-(2-oxooxolan-3-yl)sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)OCC(=O)N2CCC3=C2C=CC(=C3)S(=O)(=O)N4CCCCC4

DOS

IR

Vibrations