Geometry & MOs

Info

ID:	67445
PubChem CID:	46506491
Reduced:	SO2N3H13C15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	409.142641
ΔH_f, kcal/mol:	-10.19
Dipole, Da:	3.32
IP(EA), eV:	-8.84(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)chromen-2-imine

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C(=O)C3=C(NC2=S)N=CC=C3

DOS

IR

Vibrations