Geometry & MOs

Info

ID:	302025
PubChem CID:	123110971
Reduced:	NSO4C21H25 (1)
Stoich.:	ABC4D21E25 (1)
Weight, g/mol:	384.16066
ΔH_f, kcal/mol:	-133.76
Dipole, Da:	3.35
IP(EA), eV:	-8.69(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 3-[[1-(2-ethoxyethoxy)-1-oxobutan-2-yl]sulfinylmethyl]benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations