Geometry & MOs

Info

ID:	301978
PubChem CID:	123106560
Reduced:	SO5C16H22 (1)
Stoich.:	AB5C16D22 (1)
Weight, g/mol:	340.134445
ΔH_f, kcal/mol:	-206.05
Dipole, Da:	6.94
IP(EA), eV:	-8.84(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[1-(3-methylbutoxy)-1-oxopropan-2-yl]sulfinylmethyl]benzoate

Drug info:

PubChemData

Smile

CCC(C)OC(=O)C(C)S(=O)CC1=CC=C(C=C1)C(=O)OC

DOS

IR

Vibrations