Geometry & MOs

Info

ID:	43830
PubChem CID:	10321854
Reduced:	ClSO2N4C23H25 (1)
Stoich.:	ABC2D4E23F25 (1)
Weight, g/mol:	330.170533
ΔH_f, kcal/mol:	-10.69
Dipole, Da:	3.82
IP(EA), eV:	-8.69(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(4aS,12bS)-9-hydroxy-4a-methoxy-3,3-dimethyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7-one

Drug info:

PubChemData

Smile

C1COCCN1CCCN2C(=O)N3C(=N2)CC(SC4=C3C=CC(=C4)Cl)C5=CC=CC=C5

DOS

IR

Vibrations