Geometry & MOs

Info

ID:	414787
PubChem CID:	135087750
Reduced:	SN2O3C21H26 (1)
Stoich.:	AB2C3D21E26 (1)
Weight, g/mol:	320.173607
ΔH_f, kcal/mol:	-90.69
Dipole, Da:	6.23
IP(EA), eV:	-8.89(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(6-methylpyridin-3-yl)methanone

Drug info:

PubChemData

Smile

CCCC1=NC(=CS1)C(=O)N2CCC3(CC2)C4=C(CCO3)C=C(C=C4)OC

DOS

IR

Vibrations