Geometry & MOs

Info

ID:	385711
PubChem CID:	134979809
Reduced:	O4C9H13 (2)
Stoich.:	A4B9C13 (2)
Weight, g/mol:	318.074822
ΔH_f, kcal/mol:	-337.12
Dipole, Da:	4.25
IP(EA), eV:	-9.75(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-1-(benzenesulfonyl)pent-2-en-2-yl]sulfanylbenzene

Drug info:

PubChemData

Smile

COC(=O)C(C(=O)OC)C/C=C/CC/C=C/CC(C(=O)OC)C(=O)OC

DOS

IR

Vibrations