Geometry & MOs

Info

ID:	420763
PubChem CID:	135114778
Reduced:	SN2O3C20H24 (1)
Stoich.:	AB2C3D20E24 (1)
Weight, g/mol:	320.173607
ΔH_f, kcal/mol:	-104.41
Dipole, Da:	4.51
IP(EA), eV:	-9.05(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(NC(=C1C(=O)N2CCC3(CC2)C4=C(CCO3)SC=C4)C)C(=O)C

DOS

IR

Vibrations