Geometry & MOs

Info

ID:	67451
PubChem CID:	46506502
Reduced:	SN3O3C22H23 (1)
Stoich.:	AB3C3D22E23 (1)
Weight, g/mol:	437.137556
ΔH_f, kcal/mol:	-53.05
Dipole, Da:	2.74
IP(EA), eV:	-7.99(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]chromen-2-ylidene]amino]phenyl]ethanone

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=S)N3CCC4=CC=CC=C4C3

DOS

IR

Vibrations