Geometry & MOs

Info

ID:	203366
PubChem CID:	79820424
Reduced:	NOSF2C15H17 (1)
Stoich.:	ABCD2E15F17 (1)
Weight, g/mol:	296.101706
ΔH_f, kcal/mol:	-114.09
Dipole, Da:	2.3
IP(EA), eV:	-9.36(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations