Geometry & MOs

Info

ID:	29009
PubChem CID:	831100
Reduced:	OS2N4C12H14 (1)
Stoich.:	AB2C4D12E14 (1)
Weight, g/mol:	337.088498
ΔH_f, kcal/mol:	25.74
Dipole, Da:	4.85
IP(EA), eV:	-8.51(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-(N-methylanilino)phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)N

DOS

IR

Vibrations