Geometry & MOs

Info

ID:	53111
PubChem CID:	14709599
Reduced:	OSCl2N3H7C9 (1)
Stoich.:	ABC2D3E7F9 (1)
Weight, g/mol:	394.989818
ΔH_f, kcal/mol:	24.07
Dipole, Da:	4.46
IP(EA), eV:	-9.27(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1OCC2=NN=C(S2)N)Cl)Cl

DOS

IR

Vibrations