Geometry & MOs

Info

ID:	14889
PubChem CID:	423563
Reduced:	NSO9C24H27 (1)
Stoich.:	ABC9D24E27 (1)
Weight, g/mol:	505.140653
ΔH_f, kcal/mol:	-309.49
Dipole, Da:	3.75
IP(EA), eV:	-7.58(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-sulfoacetic acid;2,3,10,11-tetramethoxy-8-methyl-8H-isoquinolino[2,1-b]isoquinoline

Drug info:

PubChemData

Smile

CC1C2=CC(=C(C=C2C=C3N1C=CC4=CC(=C(C=C43)OC)OC)OC)OC.C(C(=O)O)S(=O)(=O)O

DOS

IR

Vibrations