Geometry & MOs

Info

ID:	172914
PubChem CID:	75572335
Reduced:	ClN2S2O4H15C18 (1)
Stoich.:	AB2C2D4E15F18 (1)
Weight, g/mol:	495.0066
ΔH_f, kcal/mol:	-14.64
Dipole, Da:	4.69
IP(EA), eV:	-8.87(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene]-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CC(C)(C)N1C(=O)C(=CC2=CC=C(O2)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)SC1=S

DOS

IR

Vibrations