Geometry & MOs

Info

ID:	164706
PubChem CID:	74442055
Reduced:	SF3N3O4C16H20 (1)
Stoich.:	AB3C3D4E16F20 (1)
Weight, g/mol:	496.94425
ΔH_f, kcal/mol:	-280.35
Dipole, Da:	4.15
IP(EA), eV:	-8.9(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[(2,5-dibromophenyl)sulfonylamino]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1C2CC(CCC2NN1)NS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations