Geometry & MOs

Info

ID:	302021
PubChem CID:	123110659
Reduced:	SO5C14H18 (1)
Stoich.:	AB5C14D18 (1)
Weight, g/mol:	340.134445
ΔH_f, kcal/mol:	-194.2
Dipole, Da:	4.01
IP(EA), eV:	-8.8(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 3-[(2-butoxy-2-oxoethyl)sulfinylmethyl]benzoate

Drug info:

PubChemData

Smile

CC(C)OC(=O)C1=CC=CC(=C1)CS(=O)CC(=O)OC

DOS

IR

Vibrations