Geometry & MOs

Info

ID:	302005
PubChem CID:	123109441
Reduced:	NSO3C13H15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	268.113316
ΔH_f, kcal/mol:	-73.92
Dipole, Da:	2.23
IP(EA), eV:	-9.25(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 4-(propan-2-ylsulfinylmethyl)benzoate

Drug info:

PubChemData

Smile

CCCOC(=O)C1=CC=C(C=C1)CS(=O)CC#N

DOS

IR

Vibrations