Geometry & MOs

Info

ID:	312456
PubChem CID:	126605407
Reduced:	S2O3F4H5C6 (1)
Stoich.:	A2B3C4D5E6 (1)
Weight, g/mol:	253.004493
ΔH_f, kcal/mol:	-270.21
Dipole, Da:	3.03
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.775525
Charge, e:	0

Chem-info

IUPAC name:

[4-(2,5-dioxopyrrol-1-yl)phenyl] hydrogen sulfite

Drug info:

PubChemData

Smile

C1(C(C(C(=C(C1F)S(=O)[O-])F)F)SO)F

DOS

IR

Vibrations