Geometry & MOs

Info

ID:	177831
PubChem CID:	76238856
Reduced:	SN2O2C10H10 (2)
Stoich.:	AB2C2D10E10 (2)
Weight, g/mol:	356.137222
ΔH_f, kcal/mol:	-29.09
Dipole, Da:	9.41
IP(EA), eV:	-9.05(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-yl)methyl 2-naphthalen-2-yloxyacetate

Drug info:

PubChemData

Smile

C1CN(CCC1NS(=O)(=O)C2=CC=CS2)CC3=NC(=O)C4C(=N3)C5=CC=CC=C5O4

DOS

IR

Vibrations