Geometry & MOs

Info

ID:	372998
PubChem CID:	131308422
Reduced:	INO2F3H7C9 (1)
Stoich.:	ABC2D3E7F9 (1)
Weight, g/mol:	237.020812
ΔH_f, kcal/mol:	-200.42
Dipole, Da:	4.28
IP(EA), eV:	-9.79(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1,3-thiazol-2-yl)-4,5-dihydropyrrolo[3,2-d][1,2]oxazole-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)C(F)(F)F)I)C(=O)N

DOS

IR

Vibrations