Geometry & MOs

Info

ID:	284745
PubChem CID:	104067233
Reduced:	FNSO2H8C12 (1)
Stoich.:	ABCD2E8F12 (1)
Weight, g/mol:	285.057198
ΔH_f, kcal/mol:	-66.39
Dipole, Da:	4.29
IP(EA), eV:	-9.43(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-pyrazolo[1,5-a]pyrimidin-5-ylsulfanylbenzoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1SC2=CC=NC=C2)C(=O)O)F

DOS

IR

Vibrations