Geometry & MOs

Info

ID:	37569
PubChem CID:	8022277
Reduced:	ClSN2O4H19C20 (1)
Stoich.:	ABC2D4E19F20 (1)
Weight, g/mol:	350.103335
ΔH_f, kcal/mol:	-134.59
Dipole, Da:	3.46
IP(EA), eV:	-8.51(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=C(S2)NC(=O)COC(=O)/C=C/C3=CC=CC=C3Cl)C(=O)N

DOS

IR

Vibrations