Geometry & MOs

Info

ID:	268981
PubChem CID:	103603833
Reduced:	SO2N3C14H21 (1)
Stoich.:	AB2C3D14E21 (1)
Weight, g/mol:	314.971669
ΔH_f, kcal/mol:	-53.94
Dipole, Da:	8.85
IP(EA), eV:	-8.76(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-chlorothiadiazol-4-yl)methoxy]-4-nitrobenzoic acid

Drug info:

PubChemData

Smile

CC(C)COCCCNCC1=NC(=O)C2=C(N1)C=CS2

DOS

IR

Vibrations