Geometry & MOs

Info

ID:	420868
PubChem CID:	135114945
Reduced:	SN3O5C16H21 (1)
Stoich.:	AB3C5D16E21 (1)
Weight, g/mol:	319.189592
ΔH_f, kcal/mol:	-93.78
Dipole, Da:	6.66
IP(EA), eV:	-8.75(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4aS,8aS)-4a-(hydroxymethyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-7-carbonyl]-1-methylpyridin-2-one

Drug info:

PubChemData

Smile

CN1C[C@H]2CN([C@@H](C1)COC2)S(=O)(=O)C3=CC4=C(C=C3)N(C(=O)O4)C

DOS

IR

Vibrations