Geometry & MOs

Info

ID:	217464
PubChem CID:	85087862
Reduced:	SO5C19H26 (1)
Stoich.:	AB5C19D26 (1)
Weight, g/mol:	367.15792
ΔH_f, kcal/mol:	-188.2
Dipole, Da:	2.2
IP(EA), eV:	-8.83(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[3-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxypropylidene]-phenylsulfanium

Drug info:

PubChemData

Smile

CC1(OCC(O1)C2C(OC(O2)(C)C)C(CC=[S+]C3=CC=CC=C3)[O-])C

DOS

IR

Vibrations