Geometry & MOs

Info

ID:	218492
PubChem CID:	85089530
Reduced:	BrO4C25H29 (1)
Stoich.:	AB4C25D29 (1)
Weight, g/mol:	473.032697
ΔH_f, kcal/mol:	-143.41
Dipole, Da:	5.68
IP(EA), eV:	-9.17(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-oxo-3-[2-(pyridin-2-ylsulfonylmethyl)-1,3-thiazol-4-yl]-6-(trifluoromethyl)-3H-pyridine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC(C)(C)C(=O)OC(C)(C)C)C)C=CC(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations