Geometry & MOs

Info

ID:	294405
PubChem CID:	117459479
Reduced:	FNO4C14H20 (1)
Stoich.:	ABC4D14E20 (1)
Weight, g/mol:	285.057198
ΔH_f, kcal/mol:	-211.03
Dipole, Da:	7.08
IP(EA), eV:	-8.91(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-cyclopropyl-1,3-benzothiazol-4-yl)-1H-pyrazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C1=CC(=C(C(=C1)OC)OC)C(CC(=O)O)N)F

DOS

IR

Vibrations