Geometry & MOs

Info

ID:	197292
PubChem CID:	78949055
Reduced:	INOS2H8C10 (1)
Stoich.:	ABCD2E8F10 (1)
Weight, g/mol:	201.028206
ΔH_f, kcal/mol:	35.97
Dipole, Da:	3.3
IP(EA), eV:	-9.35(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-(1,3-thiazol-2-ylsulfanyl)butan-2-one

Drug info:

PubChemData

Smile

C1=CSC(=C1)CNC(=O)C2=CSC(=C2)I

DOS

IR

Vibrations