Geometry & MOs

Info

ID:	10292
PubChem CID:	99877
Reduced:	NOS2C10H17 (1)
Stoich.:	ABC2D10E17 (1)
Weight, g/mol:	231.075157
ΔH_f, kcal/mol:	-43.14
Dipole, Da:	3.19
IP(EA), eV:	-9.77(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-heptyl-2-sulfanyl-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

CCCCCCCC1C(=O)N=C(S1)S

DOS

IR

Vibrations