Geometry & MOs

Info

ID:	55683
PubChem CID:	17395829
Reduced:	OSN5C19H23 (1)
Stoich.:	ABC5D19E23 (1)
Weight, g/mol:	368.015304
ΔH_f, kcal/mol:	89.91
Dipole, Da:	6.68
IP(EA), eV:	-8.16(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-thiophen-2-ylmethanone

Drug info:

PubChemData

Smile

C1CC1N2/C(=C\3/C=NC4=CC=CC=C43)/NN=C2SCCN5CCOCC5

DOS

IR

Vibrations