Geometry & MOs

Info

ID:	132510
PubChem CID:	51372910
Reduced:	NS2O4C14H14 (1)
Stoich.:	AB2C4D14E14 (1)
Weight, g/mol:	275.118438
ΔH_f, kcal/mol:	-88.99
Dipole, Da:	7.22
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.093003
Charge, e:	1

Chem-info

IUPAC name:

2-(4-methoxyphenyl)-1H-imidazo[2,1-a]isoquinolin-4-ium

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[N-]S(=O)(=O)C2=C(SC=C2)C(=O)OC)C

DOS

IR

Vibrations