Geometry & MOs

Info

ID:	191935
PubChem CID:	78205440
Reduced:	N3O4C8H13 (1)
Stoich.:	A3B4C8D13 (1)
Weight, g/mol:	295.062677
ΔH_f, kcal/mol:	-167.34
Dipole, Da:	3.56
IP(EA), eV:	-9.8(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[(3,5-dioxo-1,2,4-triazinan-6-yl)sulfanyl]acetate

Drug info:

PubChemData

Smile

CCOC(=O)CCC1C(=O)NC(=O)NN1

DOS

IR

Vibrations