Geometry & MOs

Info

ID:	68280
PubChem CID:	46508106
Reduced:	FN2O6H25C27 (1)
Stoich.:	AB2C6D25E27 (1)
Weight, g/mol:	352.07941
ΔH_f, kcal/mol:	-231.4
Dipole, Da:	2.45
IP(EA), eV:	-8.74(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-fluorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-1H-pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)NC(=O)COC(=O)C3CC(=O)NC4=C3C=CC(=C4)F

DOS

IR

Vibrations