Geometry & MOs

Info

ID:	13271
PubChem CID:	224766
Reduced:	NO2S2C7H9 (1)
Stoich.:	AB2C2D7E9 (1)
Weight, g/mol:	203.007471
ΔH_f, kcal/mol:	-59.54
Dipole, Da:	2.45
IP(EA), eV:	-9.36(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-(4,5-dihydro-1,3-thiazol-2-yl) 3-oxobutanethioate

Drug info:

PubChemData

Smile

CC(=O)CC(=O)SC1=NCCS1

DOS

IR

Vibrations