Geometry & MOs

Info

ID:	79650
PubChem CID:	49829846
Reduced:	NF3O4H19C21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	413.167417
ΔH_f, kcal/mol:	-230.66
Dipole, Da:	21.09
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.997879
Charge, e:	2

Chem-info

IUPAC name:

6-(4,5-dihydro-1H-imidazol-3-ium-2-yl)-2-[2-[6-(4,5-dihydro-1H-imidazol-3-ium-2-yl)-1-benzothiophen-2-yl]ethenyl]-1H-indole

Drug info:

PubChemData

Smile

CC(CC(C(=O)[O-])NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C(F)(F)F

DOS

IR

Vibrations