Geometry & MOs

Info

ID:	46729
PubChem CID:	10526724
Reduced:	SN2O4H20C24 (1)
Stoich.:	AB2C4D20E24 (1)
Weight, g/mol:	432.243773
ΔH_f, kcal/mol:	-80.16
Dipole, Da:	5.76
IP(EA), eV:	-9.11(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-fluoro-3-[4-(2-phenylethyl)piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C3C(CC4=CC=CC=C42)C(=O)N(C3=O)C5=CC=CC=C5

DOS

IR

Vibrations