Geometry & MOs

Info

ID:

334223

PubChem CID:

127252775

Reduced:

ClS2N3O7H22C25 (1)

Stoich.:

AB2C3D7E22F25 (1)

Weight, g/mol:

355.166269

ΔHf, kcal/mol:

-176.61

Dipole, Da:

4.93

IP(EA), eV:

 -8.93(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NC4=CC=CC=C4S(=O)(=O)NC5=NC=CS5

DOS

IR

Vibrations