Geometry & MOs

Info

ID:	154648
PubChem CID:	56314133
Reduced:	S2N3O3C24H33 (1)
Stoich.:	A2B3C3D24E33 (1)
Weight, g/mol:	466.165248
ΔH_f, kcal/mol:	-99.13
Dipole, Da:	7.07
IP(EA), eV:	-8.09(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enoyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC2CCCN(C2)C(=O)C3=C(C=CS3)S(=O)(=O)NC4=CC=C(C=C4)C

DOS

IR

Vibrations