Geometry & MOs

Info

ID:	183321
PubChem CID:	77006817
Reduced:	NS2O3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	231.049135
ΔH_f, kcal/mol:	-99.73
Dipole, Da:	3.44
IP(EA), eV:	-9.14(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(5-nitro-2,4-dioxo-1,3-diazinan-1-yl)acetate

Drug info:

PubChemData

Smile

CCC1N(C(CS1)C(=O)O)C(=O)C=CC2=C(C=CS2)C

DOS

IR

Vibrations