Geometry & MOs

Info

ID:	222482
PubChem CID:	85300865
Reduced:	ClNSC8O9H18 (1)
Stoich.:	ABCD8E9F18 (1)
Weight, g/mol:	340.167459
ΔH_f, kcal/mol:	-246.32
Dipole, Da:	14.7
IP(EA), eV:	-11.21(-2.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2,2-dimethyl-5-(2-phenylethenyl)-1,3-dioxolan-4-yl]-2-phenylethane-1,2-diol

Drug info:

PubChemData

Smile

C[N+](C)(C)CC(CC(=O)O)OS(=O)(=O)C.[O-]Cl(=O)(=O)=O

DOS

IR

Vibrations