Geometry & MOs

Info

ID:	173643
PubChem CID:	75664632
Reduced:	NSF4O4H14C20 (1)
Stoich.:	ABC4D4E14F20 (1)
Weight, g/mol:	430.189257
ΔH_f, kcal/mol:	-252.71
Dipole, Da:	6.06
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.816003
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-4-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-2,3-dihydro-1H-benzo[b][1,6]naphthyridin-2-ium-10-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(S2)C(=CC3=C(C=C(C=C3)OC(F)F)OC(F)F)CCC(=O)[O-]

DOS

IR

Vibrations