Geometry & MOs

Info

ID:	150810
PubChem CID:	53790506
Reduced:	N4O5C12H12 (1)
Stoich.:	A4B5C12D12 (1)
Weight, g/mol:	491.89657
ΔH_f, kcal/mol:	-9.9
Dipole, Da:	5.7
IP(EA), eV:	-9.5(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-(2-methyl-1,3-thiazol-4-yl)-1H-indol-2-one

Drug info:

PubChemData

Smile

CCN1C=C(C(=N1)C2=CC=C(O2)[N+](=O)[O-])C=NOC(=O)C

DOS

IR

Vibrations