Geometry & MOs

Info

ID:	233122
PubChem CID:	87692433
Reduced:	O3S3N4C9H11 (1)
Stoich.:	A3B3C4D9E11 (1)
Weight, g/mol:	743.9377
ΔH_f, kcal/mol:	16.8
Dipole, Da:	7.53
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.767162
Charge, e:	0

Chem-info

IUPAC name:

2-[[6-chloro-1-(6-methylpyridazin-3-yl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetic acid;3-iodo-6-methylpyridazine

Drug info:

PubChemData

Smile

C1C[N+](N=N1)(CC=O)C(=S)NS(=O)(=O)C2=CSC=C2

DOS

IR

Vibrations