Geometry & MOs

Info

ID:	150550
PubChem CID:	53790243
Reduced:	BrS3N7O7H28C32 (1)
Stoich.:	AB3C7D7E28F32 (1)
Weight, g/mol:	242.009434
ΔH_f, kcal/mol:	26.51
Dipole, Da:	14.84
IP(EA), eV:	-8.84(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1-(hydroxyamino)-6-methoxyindole-2,3-dione

Drug info:

PubChemData

Smile

CN1C(=NN=N1)SC(C2=C(N3[C@H](C(=NCCS(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Br)C3=O)SC2)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6)OC

DOS

IR

Vibrations