Geometry & MOs

Info

ID:	204350
PubChem CID:	79952571
Reduced:	NOSF3C12H12 (1)
Stoich.:	ABCD3E12F12 (1)
Weight, g/mol:	146.076536
ΔH_f, kcal/mol:	-182.48
Dipole, Da:	2.9
IP(EA), eV:	-9.24(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethylthian-3-ol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(S2)CC(CCC(F)(F)F)O

DOS

IR

Vibrations