Geometry & MOs

Info

ID:	65290
PubChem CID:	29211913
Reduced:	SO2N5C21H24 (1)
Stoich.:	AB2C5D21E24 (1)
Weight, g/mol:	433.18017
ΔH_f, kcal/mol:	40.32
Dipole, Da:	14.91
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.806906
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-1,3-dioxo-N-[(E)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]isoindole-5-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CS1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CN=CC=C4

DOS

IR

Vibrations