Geometry & MOs

Info

ID:	389429
PubChem CID:	134992867
Reduced:	OC13H16 (1)
Stoich.:	AB13C16 (1)
Weight, g/mol:	244.022787
ΔH_f, kcal/mol:	-31.84
Dipole, Da:	2.4
IP(EA), eV:	-9.34(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(S)-(1,3-dioxo-1,3-dithiolan-2-yl)-phenylmethanol

Drug info:

PubChemData

Smile

C/C(=C/1\CCCC1O)/C2=CC=CC=C2

DOS

IR

Vibrations