Geometry & MOs

Info

ID:	142499
PubChem CID:	53045029
Reduced:	ClSN3O6H22C25 (1)
Stoich.:	ABC3D6E22F25 (1)
Weight, g/mol:	390.132805
ΔH_f, kcal/mol:	-121.37
Dipole, Da:	5.84
IP(EA), eV:	-8.98(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxyphenyl)-3-[(3Z)-3-(2-oxoquinolin-3-ylidene)-1,2,4-oxadiazol-5-yl]propanamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=C(N=C(O2)C3=CC=CO3)S(=O)(=O)C4=CC=CC=C4)C(=O)COC5=CC=C(C=C5)Cl

DOS

IR

Vibrations