Geometry & MOs

Info

ID:	417626
PubChem CID:	135102324
Reduced:	SN3O5C17H21 (1)
Stoich.:	AB3C5D17E21 (1)
Weight, g/mol:	355.225977
ΔH_f, kcal/mol:	-117.71
Dipole, Da:	5.59
IP(EA), eV:	-9.75(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aS,8aS)-7-[(8-methoxyquinolin-2-yl)methyl]-1-methyl-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)C2=CC(=NO2)C3=CC=CC=C3

DOS

IR

Vibrations