Geometry & MOs

Info

ID:	191930
PubChem CID:	78203492
Reduced:	ON2C8H10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	259.077933
ΔH_f, kcal/mol:	-11.66
Dipole, Da:	4.18
IP(EA), eV:	-9.04(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-ethylphenyl)-6-oxo-2-sulfanylidene-1,3-diazinane-5-carbonitrile

Drug info:

PubChemData

Smile

CCCC1C2C(C(=C(OC2NN1)N)C#N)C3=CC=C(C=C3)O

DOS

IR

Vibrations