Geometry & MOs

Info

ID:	406563
PubChem CID:	135078050
Reduced:	SN3O4H17C20 (1)
Stoich.:	AB3C4D17E20 (1)
Weight, g/mol:	324.06285
ΔH_f, kcal/mol:	12.68
Dipole, Da:	9.8
IP(EA), eV:	-9.32(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2Z,4S)-2-methyl-4-phenylselanylhepta-2,6-dienoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N/N=C(/C2=CC=CC=C2)\C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations