Geometry & MOs

Info

ID:	312373
PubChem CID:	126604483
Reduced:	NS2O4H21C23 (1)
Stoich.:	AB2C4D21E23 (1)
Weight, g/mol:	278.06128
ΔH_f, kcal/mol:	-78.55
Dipole, Da:	5.66
IP(EA), eV:	-8.91(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-hydroxy-2-sulfanyloxyphenyl)-6-methoxy-4-methylphenol

Drug info:

PubChemData

Smile

COSCC1=CC2=C(C=C1)C(=NC3=CC=CC=C32)C4=CC=C(C=C4)CS(=O)(=O)OC

DOS

IR

Vibrations