Geometry & MOs

Info

ID:	53112
PubChem CID:	14709601
Reduced:	SCl2N3O3H11C16 (1)
Stoich.:	AB2C3D3E11F16 (1)
Weight, g/mol:	341.083413
ΔH_f, kcal/mol:	-32.98
Dipole, Da:	4.59
IP(EA), eV:	-9.17(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[(2-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]amino]benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)O)NC2=NN=C(S2)COC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations