Geometry & MOs

Info

ID:	229585
PubChem CID:	87568089
Reduced:	P2C6O13H16 (1)
Stoich.:	A2B6C13D16 (1)
Weight, g/mol:	507.126252
ΔH_f, kcal/mol:	-748.66
Dipole, Da:	7.28
IP(EA), eV:	-10.58(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylpyridin-3-yl)-8-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]-1-oxa-3-azaspiro[4.5]decan-2-one;dihydrochloride

Drug info:

PubChemData

Smile

C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O.OP(=O)(O)O

DOS

IR

Vibrations