Geometry & MOs

Info

ID:	338838
PubChem CID:	127259849
Reduced:	SN2O2C16H20 (1)
Stoich.:	AB2C2D16E20 (1)
Weight, g/mol:	326.170437
ΔH_f, kcal/mol:	13.78
Dipole, Da:	7.28
IP(EA), eV:	-8.58(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-[2-(2,4-diethylphenyl)butyl] benzenecarbothioate

Drug info:

PubChemData

Smile

C/C(=C\C1=CC=C(C=C1)C(=S)NC2CCCCC2)/[N+](=O)[O-]

DOS

IR

Vibrations