Geometry & MOs

Info

ID:	407306
PubChem CID:	135079771
Reduced:	SF3O4H8C12 (2)
Stoich.:	AB3C4D8E12 (2)
Weight, g/mol:	315.147058
ΔH_f, kcal/mol:	-528.3
Dipole, Da:	4.55
IP(EA), eV:	-8.69(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (10bR)-8,9-diacetyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline-5-carboxylate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=C(C=C2)OS(=O)(=O)C(F)(F)F)C3=C(C=CC4=C3C=CC(=C4)OC)OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations