Geometry & MOs

Info

ID:	79707
PubChem CID:	49830051
Reduced:	SN3O6H16C19 (1)
Stoich.:	AB3C6D16E19 (1)
Weight, g/mol:	409.15636
ΔH_f, kcal/mol:	-128.53
Dipole, Da:	12.32
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.763876
Charge, e:	1

Chem-info

IUPAC name:

1-(4-fluorophenyl)-2-(2-morpholin-4-ium-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(C(=O)C1=CNC2=CC=CC=C2C(=O)[O-])C3CCS(=O)(=O)C3)C#N

DOS

IR

Vibrations