Geometry & MOs

Info

ID:	216147
PubChem CID:	85085797
Reduced:	LiSN2O2C10H17 (1)
Stoich.:	ABC2D2E10F17 (1)
Weight, g/mol:	230.108899
ΔH_f, kcal/mol:	-92.31
Dipole, Da:	8.5
IP(EA), eV:	-7.64(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-1-(propan-2-yloxymethyl)-2-sulfanylidene-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

[Li+].CCC1[CH-]N(C(=S)NC1=O)COC(C)C

DOS

IR

Vibrations