Geometry & MOs

Info

ID:	268357
PubChem CID:	103599068
Reduced:	FSN2O4H13C15 (1)
Stoich.:	ABC2D4E13F15 (1)
Weight, g/mol:	299.062757
ΔH_f, kcal/mol:	-73.34
Dipole, Da:	5.91
IP(EA), eV:	-9.26(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylsulfanylethyl 3-(4-fluoro-2-nitrophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CCOC(=O)C=CC2=C(C=C(C=C2)F)[N+](=O)[O-]

DOS

IR

Vibrations