Geometry & MOs

Info

ID:	401537
PubChem CID:	135051543
Reduced:	S2O5H12C13 (1)
Stoich.:	A2B5C12D13 (1)
Weight, g/mol:	222.058875
ΔH_f, kcal/mol:	-173.12
Dipole, Da:	7.07
IP(EA), eV:	-8.49(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(4-hydroxy-5-phenyl-1,3-oxathiol-2-ylidene)-dimethylazanium

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=CC(SS2)C(C(=O)O)C(=O)O

DOS

IR

Vibrations