Geometry & MOs

Info

ID:	170794
PubChem CID:	75281322
Reduced:	N2S3O4C19H24 (1)
Stoich.:	A2B3C4D19E24 (1)
Weight, g/mol:	463.190734
ΔH_f, kcal/mol:	-107.1
Dipole, Da:	5.0
IP(EA), eV:	-8.78(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1,3-benzodioxol-5-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(furan-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CCN(C(C1)CCNS(=O)(=O)C=CC2=CC=CC=C2)S(=O)(=O)C3=CC=CS3

DOS

IR

Vibrations