Geometry & MOs

Info

ID:	232081
PubChem CID:	87575403
Reduced:	TiO7C10H13 (1)
Stoich.:	AB7C10D13 (1)
Weight, g/mol:	156.001002
ΔH_f, kcal/mol:	-292.09
Dipole, Da:	6.72
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757522
Charge, e:	0

Chem-info

IUPAC name:

phosphanyl propane-1-sulfonate

Drug info:

PubChemData

Smile

CC(=C)C(=O)O.CC(=C)C(=O)O.C(=O)[C-]=O.O=[Ti+]

DOS

IR

Vibrations