Geometry & MOs

Info

ID:	46237
PubChem CID:	10523453
Reduced:	SO5C20H22 (1)
Stoich.:	AB5C20D22 (1)
Weight, g/mol:	374.199428
ΔH_f, kcal/mol:	-162.84
Dipole, Da:	7.34
IP(EA), eV:	-9.94(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-isoquinolin-7-yl-N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylacetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H](C)[C@@H](CC=C)OC(=O)C2=CC=CC=C2

DOS

IR

Vibrations