Geometry & MOs

Info

ID:	325398
PubChem CID:	126683061
Reduced:	SO2F3N4H13C15 (1)
Stoich.:	AB2C3D4E13F15 (1)
Weight, g/mol:	312.147393
ΔH_f, kcal/mol:	-158.33
Dipole, Da:	1.66
IP(EA), eV:	-9.25(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

2-(2-methoxybutyl)-7-methylpyrido[3,4-g]isoquinoline-2,7-diium-5,10-dione

Drug info:

PubChemData

Smile

CC1=CC2=C(C=N1)N(C(=N2)C3=C(C=C(C=N3)C(F)(F)F)S(=O)(=O)C)C

DOS

IR

Vibrations