Geometry & MOs

Info

ID:	389712
PubChem CID:	134994592
Reduced:	SN2O4C11H20 (1)
Stoich.:	AB2C4D11E20 (1)
Weight, g/mol:	185.105193
ΔH_f, kcal/mol:	-110.92
Dipole, Da:	4.98
IP(EA), eV:	-8.82(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-7-methyl-7-nitrooct-5-en-4-one

Drug info:

PubChemData

Smile

CCCC/C=C/SC[C@@H](C[N+](=O)[O-])NC(=O)OC

DOS

IR

Vibrations