Geometry & MOs

Info

ID:	81929
PubChem CID:	49855364
Reduced:	SO3N5C32H33 (1)
Stoich.:	AB3C5D32E33 (1)
Weight, g/mol:	287.046154
ΔH_f, kcal/mol:	-40.5
Dipole, Da:	6.67
IP(EA), eV:	-8.43(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(4-chloroanilino)-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

C1CCN(CC1)CCC(=O)NC2=C3C4=CC=CC=C4SC3=C(C=C2)C5=CC=CN6C5=NC(=CC6=O)N7CCOCC7

DOS

IR

Vibrations