Geometry & MOs

Info

ID:	426973
PubChem CID:	135154819
Reduced:	N4O4C21H26 (1)
Stoich.:	A4B4C21D26 (1)
Weight, g/mol:	386.141262
ΔH_f, kcal/mol:	-105.58
Dipole, Da:	2.75
IP(EA), eV:	-8.66(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(1,1-dihydroxy-6-methyl-2,3-dihydro-[1,2]thiazolo[4,5-b]pyridin-5-yl)piperidin-4-yl]oxybenzonitrile

Drug info:

PubChemData

Smile

CC1=CC2=C(CN(C2)C(=O)OC)N=C1N3CCC(CC3)OC4=CN=C(C=C4)OC

DOS

IR

Vibrations