Geometry & MOs

Info

ID:	338880
PubChem CID:	127259891
Reduced:	SO2H20C22 (1)
Stoich.:	AB2C20D22 (1)
Weight, g/mol:	332.104859
ΔH_f, kcal/mol:	-14.6
Dipole, Da:	1.9
IP(EA), eV:	-8.43(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 3-benzoyloxybenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2CCSC3=CC=CC=C3

DOS

IR

Vibrations