Geometry & MOs

Info

ID:	284310
PubChem CID:	104042124
Reduced:	FON2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	323.01314
ΔH_f, kcal/mol:	-53.85
Dipole, Da:	2.79
IP(EA), eV:	-9.63(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-amino-2-chlorophenyl)methyl]-1,1-dioxo-[1,2]thiazolo[5,4-b]pyridin-3-one

Drug info:

PubChemData

Smile

C[C@@H](CO)NC(C)C1=C(C=C(C=C1)C#N)F

DOS

IR

Vibrations