Geometry & MOs

Info

ID:	25599
PubChem CID:	627043
Reduced:	SO2N3H13C15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	299.061614
ΔH_f, kcal/mol:	-0.31
Dipole, Da:	5.35
IP(EA), eV:	-9.12(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylsulfanylphenyl)-1-(4-nitrophenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=C(C(=O)N3CCSC3=N2)C#N

DOS

IR

Vibrations