Geometry & MOs

Info

ID:	53164
PubChem CID:	14709686
Reduced:	NSC15H17 (1)
Stoich.:	ABC15D17 (1)
Weight, g/mol:	206.097666
ΔH_f, kcal/mol:	49.32
Dipole, Da:	1.45
IP(EA), eV:	-8.32(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethoxy-6,6-dimethylthian-3-ol

Drug info:

PubChemData

Smile

CCSC1=CC=C(C=C1)C2=C(C=CN2C=C)C

DOS

IR

Vibrations