Geometry & MOs

Info

ID:	30045
PubChem CID:	839208
Reduced:	ClSN6C8H11 (1)
Stoich.:	ABC6D8E11 (1)
Weight, g/mol:	242.043522
ΔH_f, kcal/mol:	95.39
Dipole, Da:	2.35
IP(EA), eV:	-8.82(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-dithian-2-yl)-6-methoxyphenol

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1Cl)C2=NNC(=S)N2N)C

DOS

IR

Vibrations