Geometry & MOs

Info

ID:	128785
PubChem CID:	51057738
Reduced:	ClOS2N3H10C15 (1)
Stoich.:	ABC2D3E10F15 (1)
Weight, g/mol:	252.074621
ΔH_f, kcal/mol:	64.69
Dipole, Da:	4.31
IP(EA), eV:	-8.85(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetic acid;hydrate

Drug info:

PubChemData

Smile

C1=CC=[N+]2C(=C1)SC(=C2C(=O)C3=CC=C(C=C3)Cl)N.C(#N)[S-]

DOS

IR

Vibrations