Geometry & MOs

Info

ID:	127091
PubChem CID:	50990492
Reduced:	BrISN2O4H8C14 (1)
Stoich.:	ABCD2E4F8G14 (1)
Weight, g/mol:	358.989623
ΔH_f, kcal/mol:	-53.01
Dipole, Da:	9.68
IP(EA), eV:	-9.54(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)N2C(=C(C3=C2N=CC(=C3)Br)I)C(=O)O

DOS

IR

Vibrations