Geometry & MOs

Info

ID:	128676
PubChem CID:	51053760
Reduced:	NO2C9H9 (2)
Stoich.:	AB2C9D9 (2)
Weight, g/mol:	413.120941
ΔH_f, kcal/mol:	-137.7
Dipole, Da:	9.6
IP(EA), eV:	-8.09(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one

Drug info:

PubChemData

Smile

CC1CC2=C(C=C(C(=O)N2)C(=O)NC3=CC=C(C=C3)OC)C(=O)C1

DOS

IR

Vibrations