Geometry & MOs

Info

ID:	284742
PubChem CID:	104067168
Reduced:	FN3O3C14H14 (1)
Stoich.:	AB3C3D14E14 (1)
Weight, g/mol:	326.012806
ΔH_f, kcal/mol:	-41.29
Dipole, Da:	4.89
IP(EA), eV:	-8.67(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-(4,6-dimethoxypyrimidin-2-yl)sulfanylbenzoic acid

Drug info:

PubChemData

Smile

CC(C1=CC(=CN=C1)F)NC2=C(C=C(C=C2)OC)[N+](=O)[O-]

DOS

IR

Vibrations