Geometry & MOs

Info

ID:	184238
PubChem CID:	77131898
Reduced:	N2O4C11H14 (1)
Stoich.:	A2B4C11D14 (1)
Weight, g/mol:	438.136176
ΔH_f, kcal/mol:	-80.29
Dipole, Da:	8.34
IP(EA), eV:	-9.36(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-(dimethylamino)-5-nitrophenyl]methylidene]-2-sulfanylidene-1-(2,4,6-trimethylphenyl)-1,3-diazinane-4,6-dione

Drug info:

PubChemData

Smile

C1CC(NC1)C2=C(C(=CC(=C2)CO)[N+](=O)[O-])O

DOS

IR

Vibrations