Geometry & MOs

Info

ID:	13595
PubChem CID:	395711
Reduced:	SO2C20H26 (1)
Stoich.:	AB2C20D26 (1)
Weight, g/mol:	330.165351
ΔH_f, kcal/mol:	-73.55
Dipole, Da:	7.57
IP(EA), eV:	-9.05(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylpent-3-enyl)-4-(2-methylprop-1-enyl)-3-phenylsulfanyloxolan-2-one

Drug info:

PubChemData

Smile

CC(=CCCC1(C(COC1=O)C=C(C)C)SC2=CC=CC=C2)C

DOS

IR

Vibrations