Geometry & MOs

Info

ID:	129271
PubChem CID:	51072140
Reduced:	NaN2S4O6H13C15 (1)
Stoich.:	AB2C4D6E13F15 (1)
Weight, g/mol:	458.25292
ΔH_f, kcal/mol:	-247.64
Dipole, Da:	13.86
IP(EA), eV:	-8.65(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(dibutylamino)-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)acetamide;oxalic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N(/C(=C\3/C(=O)N(C(=S)S3)CC(=O)[O-])/S2)CCCS(=O)(=O)O.[Na+]

DOS

IR

Vibrations