Geometry & MOs

Info

ID:	217206
PubChem CID:	85087425
Reduced:	SO2N4C17H18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	350.177647
ΔH_f, kcal/mol:	25.41
Dipole, Da:	9.29
IP(EA), eV:	-8.64(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzenesulfonyl)-7-piperazin-1-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N2C(=CC(=N2)C3=CC=CS3)N=C1)C=CN(C)C

DOS

IR

Vibrations