Geometry & MOs

Info

ID:	339128
PubChem CID:	127260507
Reduced:	NO5H15C16 (1)
Stoich.:	AB5C15D16 (1)
Weight, g/mol:	266.134051
ΔH_f, kcal/mol:	-94.83
Dipole, Da:	6.92
IP(EA), eV:	-10.29(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethyl-3-sulfanylhexyl) benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)OCCC(C2=CC=C(C=C2)[N+](=O)[O-])O

DOS

IR

Vibrations