Geometry & MOs

Info

ID:	59206
PubChem CID:	24775742
Reduced:	SN4O5C27H28 (1)
Stoich.:	AB4C5D27E28 (1)
Weight, g/mol:	504.200885
ΔH_f, kcal/mol:	-158.63
Dipole, Da:	6.77
IP(EA), eV:	-8.6(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[8-hydroxy-8-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl]-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

COC1=NC2=C(C=CN=C2C=C1)CCC3(CCC4(CC3)CN(C(=O)O4)C5=CC6=C(C=C5)SCC(=O)N6)O

DOS

IR

Vibrations