Geometry & MOs

Info

ID:	204492
PubChem CID:	79971980
Reduced:	ON4C16H22 (1)
Stoich.:	AB4C16D22 (1)
Weight, g/mol:	308.028935
ΔH_f, kcal/mol:	-0.66
Dipole, Da:	7.01
IP(EA), eV:	-9.05(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]benzoic acid

Drug info:

PubChemData

Smile

CCN1C(=O)N=C(C12CCCN(C2)CC3=CC=CC=C3)N

DOS

IR

Vibrations