Geometry & MOs

Info

ID:	223610
PubChem CID:	85335305
Reduced:	ClN3O5H22C23 (1)
Stoich.:	AB3C5D22E23 (1)
Weight, g/mol:	455.047333
ΔH_f, kcal/mol:	-80.65
Dipole, Da:	6.49
IP(EA), eV:	-9.41(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]sulfonylphenyl]-N-hydroxyprop-2-enamide

Drug info:

PubChemData

Smile

COC(=O)C1(CC1C(=O)NO)C2=CC=C(C=C2)OCC3=NC=CN3CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations