Geometry & MOs

Info

ID:	161484
PubChem CID:	57391779
Reduced:	SN2O2C18H32 (1)
Stoich.:	AB2C2D18E32 (1)
Weight, g/mol:	258.038437
ΔH_f, kcal/mol:	-81.41
Dipole, Da:	3.95
IP(EA), eV:	-8.71(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-sulfanylethoxy)ethyl 4-sulfanylbenzoate

Drug info:

PubChemData

Smile

CCCCCCCC(=O)C1=NC=C(O1)CCSCCCN(C)C

DOS

IR

Vibrations