Geometry & MOs

Info

ID:	16239
PubChem CID:	462625
Reduced:	OSC6H6 (2)
Stoich.:	ABC6D6 (2)
Weight, g/mol:	252.027872
ΔH_f, kcal/mol:	-29.28
Dipole, Da:	1.86
IP(EA), eV:	-8.71(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(phenoxymethyl)dithiin-3-yl]methanol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCC2=CC=C(SS2)CO

DOS

IR

Vibrations