Geometry & MOs

Info

ID:	302004
PubChem CID:	123109440
Reduced:	SO3C19H22 (1)
Stoich.:	AB3C19D22 (1)
Weight, g/mol:	265.077265
ΔH_f, kcal/mol:	-85.19
Dipole, Da:	6.25
IP(EA), eV:	-8.63(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 4-(cyanomethylsulfinylmethyl)benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations