Geometry & MOs

Info

ID:	161375
PubChem CID:	57391492
Reduced:	ON6C9H9 (2)
Stoich.:	AB6C9D9 (2)
Weight, g/mol:	413.984398
ΔH_f, kcal/mol:	156.43
Dipole, Da:	1.74
IP(EA), eV:	-9.85(-2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2,4-dichlorophenyl)-methylsulfamoyl]-1-hydroxyindole-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H](CN1N=CC=N1)N2C(=O)C3=CC4=C(C=C3N=N2)C(=O)N(N=N4)[C@H](C)CN5N=CC=N5

DOS

IR

Vibrations