Geometry & MOs

Info

ID:	412831
PubChem CID:	135085760
Reduced:	ClNS2O3H8C10 (1)
Stoich.:	ABC2D3E8F10 (1)
Weight, g/mol:	240.136159
ΔH_f, kcal/mol:	-77.42
Dipole, Da:	3.63
IP(EA), eV:	-9.56(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dimethoxy-4-methylphenyl)butane-2,3-diol

Drug info:

PubChemData

Smile

CC(=O)CS(=O)(=O)C1=NC2=C(S1)C=CC(=C2)Cl

DOS

IR

Vibrations