Geometry & MOs

Info

ID:	124029
PubChem CID:	50870252
Reduced:	BrN2S2O4H5C10 (1)
Stoich.:	AB2C2D4E5F10 (1)
Weight, g/mol:	588.067734
ΔH_f, kcal/mol:	-18.52
Dipole, Da:	5.11
IP(EA), eV:	-9.43(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[3-[(2,4-dichlorophenyl)methoxy]-4-methoxyphenyl]methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1/C=C/2\C(=O)NC(=S)S2)O)Br)[N+](=O)[O-]

DOS

IR

Vibrations