Geometry & MOs

Info

ID:	165390
PubChem CID:	74545206
Reduced:	SO4N5C26H27 (1)
Stoich.:	AB4C5D26E27 (1)
Weight, g/mol:	294.082684
ΔH_f, kcal/mol:	-29.24
Dipole, Da:	7.88
IP(EA), eV:	-8.87(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-cyanophenyl)-N-(3-methylsulfanylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=C(C2=CC=CC=C2C=C1)CN3CC(CC3C(=O)NCC4=CC=CS4)N5C=C(N=N5)C(=O)OC

DOS

IR

Vibrations