Geometry & MOs

Info

ID:	203367
PubChem CID:	79820425
Reduced:	ON2S2C14H20 (1)
Stoich.:	AB2C2D14E20 (1)
Weight, g/mol:	307.079763
ΔH_f, kcal/mol:	-24.81
Dipole, Da:	3.04
IP(EA), eV:	-9.21(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenyl)propan-2-one

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CC(CC2=NC(=CS2)C(C)(C)C)O

DOS

IR

Vibrations