Geometry & MOs

Info

ID:	206961
PubChem CID:	80324950
Reduced:	NOSC11H17 (1)
Stoich.:	ABCD11E17 (1)
Weight, g/mol:	211.103085
ΔH_f, kcal/mol:	-50.04
Dipole, Da:	2.79
IP(EA), eV:	-8.83(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pentan-2-one

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC(C)CC(=O)C)C

DOS

IR

Vibrations