Geometry & MOs

Info

ID:	166088
PubChem CID:	74636513
Reduced:	FSN3O5H18C19 (1)
Stoich.:	ABC3D5E18F19 (1)
Weight, g/mol:	379.156577
ΔH_f, kcal/mol:	-93.61
Dipole, Da:	8.74
IP(EA), eV:	-9.38(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)C=CC2=CC=CC=C2F)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations