Geometry & MOs

Info

ID:	192652
PubChem CID:	78296509
Reduced:	SSeN2O2C16H22 (1)
Stoich.:	ABC2D2E16F22 (1)
Weight, g/mol:	400.07237
ΔH_f, kcal/mol:	-66.06
Dipole, Da:	4.78
IP(EA), eV:	-8.92(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,5-dimethylphenyl)selanyl-1-(ethoxymethyl)-5-ethyl-2-sulfanylidene-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CCC1C(N(C(=S)NC1=O)COCC)[Se]C2=CC=CC(=C2)C

DOS

IR

Vibrations