Geometry & MOs

Info

ID:	192651
PubChem CID:	78296396
Reduced:	N2S2O3C13H16 (1)
Stoich.:	A2B2C3D13E16 (1)
Weight, g/mol:	386.05672
ΔH_f, kcal/mol:	-81.15
Dipole, Da:	5.47
IP(EA), eV:	-9.22(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(N(C(=O)NC1=S)COCCO)SC2=CC=CC=C2

DOS

IR

Vibrations