Geometry & MOs

Info

ID:	16301
PubChem CID:	463840
Reduced:	SO2N4C20H24 (1)
Stoich.:	AB2C4D20E24 (1)
Weight, g/mol:	384.161997
ΔH_f, kcal/mol:	-19.3
Dipole, Da:	2.53
IP(EA), eV:	-8.48(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C(=O)N(S2)CN3CCN(CC3)C4=CC=CC=C4OC)C

DOS

IR

Vibrations