Geometry & MOs

Info

ID:	203355
PubChem CID:	79819221
Reduced:	S2N3C13H19 (1)
Stoich.:	A2B3C13D19 (1)
Weight, g/mol:	313.070341
ΔH_f, kcal/mol:	52.17
Dipole, Da:	4.52
IP(EA), eV:	-9.02(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-chloro-2-fluorophenyl)ethanol

Drug info:

PubChemData

Smile

CC1=CSC=C1C2=NN=C(S2)CCNCC(C)C

DOS

IR

Vibrations