Geometry & MOs

Info

ID:	188351
PubChem CID:	77703070
Reduced:	OSN3C9H9 (1)
Stoich.:	ABC3D9E9 (1)
Weight, g/mol:	568.16931
ΔH_f, kcal/mol:	33.28
Dipole, Da:	8.63
IP(EA), eV:	-9.48(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4a,9-dihydroxy-2,3,4,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl)isoindole-1,3-dione;2,3-dihydroxybutanedioic acid

Drug info:

PubChemData

Smile

C1=CSC=C1CC2C=NC(=O)N=C2N

DOS

IR

Vibrations