Geometry & MOs

Info

ID:	59165
PubChem CID:	24775656
Reduced:	NO3F10H21C27 (1)
Stoich.:	AB3C10D21E27 (1)
Weight, g/mol:	371.130363
ΔH_f, kcal/mol:	-588.92
Dipole, Da:	4.09
IP(EA), eV:	-9.19(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(benzenesulfonyl)-4-(piperazin-1-ylmethyl)indol-5-ol

Drug info:

PubChemData

Smile

C1CC2=C(C=CC=C2N([C@H]1C3=CC(=CC=C3)OC(C(F)F)(F)F)C[C@H](C(F)(F)F)O)C4=CC(=CC=C4)OC(F)(F)F

DOS

IR

Vibrations