Geometry & MOs

Info

ID:	217989
PubChem CID:	85088702
Reduced:	SO5H18C24 (1)
Stoich.:	AB5C18D24 (1)
Weight, g/mol:	418.156243
ΔH_f, kcal/mol:	-17.95
Dipole, Da:	3.78
IP(EA), eV:	-8.61(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(cyclopropylmethyl)-4a-hydroxy-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]methanesulfonamide

Drug info:

PubChemData

Smile

C1C#CC=CC(C#CCS1)OC(=O)CC2CC3=C(CO2)C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations