Geometry & MOs

Info

ID:	80719
PubChem CID:	49836382
Reduced:	O3F4N4H10C17 (1)
Stoich.:	A3B4C4D10E17 (1)
Weight, g/mol:	440.107375
ΔH_f, kcal/mol:	-146.32
Dipole, Da:	8.87
IP(EA), eV:	-9.32(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-7-(4-methylpiperazin-1-yl)-3-naphthalen-1-ylsulfonyl-2H-indazole

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)COC2=CC3=C(C=C2)[N+](=NC4=C(C=NN34)F)[O-])OC(F)(F)F

DOS

IR

Vibrations