Geometry & MOs

Info

ID:	227427
PubChem CID:	87561737
Reduced:	PO2H20C21 (1)
Stoich.:	AB2C20D21 (1)
Weight, g/mol:	202.941986
ΔH_f, kcal/mol:	-28.57
Dipole, Da:	5.63
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.870831
Charge, e:	0

Chem-info

IUPAC name:

sodium;2-chloro-1H-pyrrole-3-sulfonate

Drug info:

PubChemData

Smile

CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3C(=O)O

DOS

IR

Vibrations