Geometry & MOs

Info

ID:	38285
PubChem CID:	8029172
Reduced:	FN2S2O5H15C16 (1)
Stoich.:	AB2C2D5E15F16 (1)
Weight, g/mol:	409.176347
ΔH_f, kcal/mol:	-217.79
Dipole, Da:	8.92
IP(EA), eV:	-9.9(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[(1R)-6-methoxy-1-(4-methoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-dimethylazanium

Drug info:

PubChemData

Smile

C1CS(=O)(=O)C[C@@H]1NC(=O)CN2C(=O)/C(=C/C3=CC=CC=C3F)/SC2=O

DOS

IR

Vibrations