Geometry & MOs

Info

ID:	422426
PubChem CID:	135117817
Reduced:	FSN2O5C17H23 (1)
Stoich.:	ABC2D5E17F23 (1)
Weight, g/mol:	353.246713
ΔH_f, kcal/mol:	-235.49
Dipole, Da:	3.83
IP(EA), eV:	-9.81(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aS,8aS)-1-methyl-7-(4,7,8-trimethylquinolin-2-yl)-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)CCC(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations