Geometry & MOs

Info

ID:	147488
PubChem CID:	53787144
Reduced:	SN3O4C18H21 (1)
Stoich.:	AB3C4D18E21 (1)
Weight, g/mol:	426.17102
ΔH_f, kcal/mol:	-106.96
Dipole, Da:	6.25
IP(EA), eV:	-9.78(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[2-[4-[3-(4-chlorophenyl)prop-2-enoyl]piperazin-1-yl]ethyl]benzoate

Drug info:

PubChemData

Smile

COC(=O)CCCNS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=N)N

DOS

IR

Vibrations