Geometry & MOs

Info

ID:	192314
PubChem CID:	78255992
Reduced:	OS2N5C20H21 (1)
Stoich.:	AB2C5D20E21 (1)
Weight, g/mol:	429.218961
ΔH_f, kcal/mol:	82.07
Dipole, Da:	3.18
IP(EA), eV:	-8.75(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(2-fluorophenyl)-2-(3-morpholin-4-ium-4-ylpropyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

Drug info:

PubChemData

Smile

CN1CCC2=C(C1)SC3=C2C(=O)N(C4N3C(=NN4)SCC=C)C5=CC=CC=C5

DOS

IR

Vibrations