Geometry & MOs

Info

ID:	156862
PubChem CID:	56394770
Reduced:	SN3O7C23H35 (1)
Stoich.:	AB3C7D23E35 (1)
Weight, g/mol:	362.085577
ΔH_f, kcal/mol:	-299.24
Dipole, Da:	4.71
IP(EA), eV:	-9.25(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[5-(4-chlorophenyl)thiophene-2-carbonyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)C(=O)N(C)CC(=O)N2CCC(CC2)C(=O)OCC

DOS

IR

Vibrations