Geometry & MOs

Info

ID:	243924
PubChem CID:	99300606
Reduced:	NCl2O3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	431.10704
ΔH_f, kcal/mol:	-112.58
Dipole, Da:	4.59
IP(EA), eV:	-8.99(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(3-methylindol-1-yl)ethanone

Drug info:

PubChemData

Smile

CC(=O)NC1=CC(=CC=C1)OC(=O)C(C)(C)C2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations