Geometry & MOs

Info

ID:	172599
PubChem CID:	75529300
Reduced:	O2N3C18H23 (1)
Stoich.:	A2B3C18D23 (1)
Weight, g/mol:	367.153206
ΔH_f, kcal/mol:	-24.75
Dipole, Da:	1.19
IP(EA), eV:	-8.54(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(6-methylpyridin-2-yl)oxymethyl]cyclopentyl]benzamide

Drug info:

PubChemData

Smile

CN1[C@@H](CCN(CC2=C1C=CC=N2)CC3=CC=CC=C3O)CO

DOS

IR

Vibrations