Geometry & MOs

Info

ID:	206795
PubChem CID:	80303923
Reduced:	ClNSO2C16H18 (1)
Stoich.:	ABCD2E16F18 (1)
Weight, g/mol:	225.08235
ΔH_f, kcal/mol:	-66.97
Dipole, Da:	4.21
IP(EA), eV:	-9.41(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(oxolan-2-yl)ethanone

Drug info:

PubChemData

Smile

CC(C)(C)C1=CSC(=N1)CC(C2=CC=C(C=C2)Cl)C(=O)O

DOS

IR

Vibrations