Geometry & MOs

Info

ID:	225846
PubChem CID:	87235660
Reduced:	N3O5C23H35 (1)
Stoich.:	A3B5C23D35 (1)
Weight, g/mol:	454.052084
ΔH_f, kcal/mol:	-197.03
Dipole, Da:	3.14
IP(EA), eV:	-8.63(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]sulfonylphenyl]-2-methylprop-2-enoic acid

Drug info:

PubChemData

Smile

CC(=O)C.CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CCCCCCC(=O)NO

DOS

IR

Vibrations