Geometry & MOs

Info

ID:	16302
PubChem CID:	463841
Reduced:	SO2N3C23H29 (1)
Stoich.:	AB2C3D23E29 (1)
Weight, g/mol:	411.198048
ΔH_f, kcal/mol:	-53.51
Dipole, Da:	5.3
IP(EA), eV:	-8.58(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-benzylpiperidin-1-yl)-2-hydroxypropyl]-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C(=O)N(S2)CC(CN3CCC(CC3)CC4=CC=CC=C4)O)C

DOS

IR

Vibrations