Geometry & MOs

Info

ID:	302023
PubChem CID:	123110661
Reduced:	SO6C17H24 (1)
Stoich.:	AB6C17D24 (1)
Weight, g/mol:	339.150429
ΔH_f, kcal/mol:	-246.51
Dipole, Da:	3.3
IP(EA), eV:	-8.95(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 3-[[2-(butylamino)-2-oxoethyl]sulfinylmethyl]benzoate

Drug info:

PubChemData

Smile

CCOCCOC(=O)CS(=O)CC1=CC(=CC=C1)C(=O)OC(C)C

DOS

IR

Vibrations