Geometry & MOs

Info

ID:	302003
PubChem CID:	123109432
Reduced:	SO5C22H26 (1)
Stoich.:	AB5C22D26 (1)
Weight, g/mol:	330.128966
ΔH_f, kcal/mol:	-182.11
Dipole, Da:	6.52
IP(EA), eV:	-8.88(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 4-(1-phenylethylsulfinylmethyl)benzoate

Drug info:

PubChemData

Smile

CCCOC(=O)C1=CC=C(C=C1)CS(=O)CC2=CC(=CC=C2)C(=O)OC(C)C

DOS

IR

Vibrations