Geometry & MOs

Info

ID:	268300
PubChem CID:	103598810
Reduced:	F2O2N3C17H17 (1)
Stoich.:	A2B2C3D17E17 (1)
Weight, g/mol:	326.085577
ΔH_f, kcal/mol:	-92.98
Dipole, Da:	5.09
IP(EA), eV:	-8.97(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-chlorophenyl)ethenylsulfonyl]-4-cyclopropylpiperazine

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)CON=C(C2=CC(=C(C=C2)F)F)N

DOS

IR

Vibrations