Geometry & MOs

Info

ID:	35465
PubChem CID:	7979910
Reduced:	BrClN2O4H12C15 (1)
Stoich.:	ABC2D4E12F15 (1)
Weight, g/mol:	406.111791
ΔH_f, kcal/mol:	-48.19
Dipole, Da:	4.75
IP(EA), eV:	-9.08(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chlorophenyl)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=C(C=C1)Br)OC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations