Geometry & MOs

Info

ID:	227269
PubChem CID:	87560983
Reduced:	N2S2O5H12C14 (1)
Stoich.:	A2B2C5D12E14 (1)
Weight, g/mol:	322.250795
ΔH_f, kcal/mol:	10.24
Dipole, Da:	5.38
IP(EA), eV:	-8.88(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

16-[(3R)-3-ethyloxiran-2-yl]hexadec-11-ynoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations