Geometry & MOs

Info

ID:	161384
PubChem CID:	57391509
Reduced:	O2N10C15H16 (1)
Stoich.:	A2B10C15D16 (1)
Weight, g/mol:	267.996093
ΔH_f, kcal/mol:	101.26
Dipole, Da:	4.51
IP(EA), eV:	-9.93(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-hydroxy-5-(5-methylthiophen-2-yl)benzoic acid

Drug info:

PubChemData

Smile

C[C@H](CN1N=CN=N1)N2C(=O)C3=C(C=C4C(=C3)N=NN(C4=O)C(C)C)N=N2

DOS

IR

Vibrations