Geometry & MOs

Info

ID:	401536
PubChem CID:	135051541
Reduced:	ClO2S2H15C17 (1)
Stoich.:	AB2C2D15E17 (1)
Weight, g/mol:	312.012616
ΔH_f, kcal/mol:	-21.54
Dipole, Da:	6.23
IP(EA), eV:	-8.78(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(2-methoxyphenyl)-3H-dithiol-3-yl]propanedioic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CC(=S(S2)Cl)C3=CC=CC=C3OC

DOS

IR

Vibrations