Geometry & MOs

Info

ID:	191936
PubChem CID:	78205441
Reduced:	SN3O4C12H13 (1)
Stoich.:	AB3C4D12E13 (1)
Weight, g/mol:	294.078662
ΔH_f, kcal/mol:	-124.81
Dipole, Da:	4.3
IP(EA), eV:	-9.54(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[(5-oxo-3-sulfanylidene-1,2,4-triazinan-6-yl)amino]acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)CSC2C(=O)NC(=O)NN2

DOS

IR

Vibrations