Geometry & MOs

Info

ID:	123087
PubChem CID:	50832329
Reduced:	ClS2N4O4H19C20 (1)
Stoich.:	AB2C4D4E19F20 (1)
Weight, g/mol:	358.142976
ΔH_f, kcal/mol:	-79.77
Dipole, Da:	6.34
IP(EA), eV:	-9.15(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]morpholine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)NC(=O)NC2=NC3=C(S2)CN(CC3)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations