Geometry & MOs

Info

ID:	61304
PubChem CID:	26708071
Reduced:	ClN3O4H12C14 (1)
Stoich.:	AB3C4D12E14 (1)
Weight, g/mol:	430.032097
ΔH_f, kcal/mol:	-62.6
Dipole, Da:	4.36
IP(EA), eV:	-9.71(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=CC=C1)Cl)NC(=O)C2=CC(=CNC2=O)[N+](=O)[O-]

DOS

IR

Vibrations