Geometry & MOs

Info

ID:	77491
PubChem CID:	49648465
Reduced:	SN2O3C19H20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	396.114378
ΔH_f, kcal/mol:	-88.31
Dipole, Da:	2.88
IP(EA), eV:	-8.55(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydro-1H-isothiochromen-4-yl 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoate

Drug info:

PubChemData

Smile

C1C(C2=CC=CC=C2CS1)OC(=O)CC(C3=CC=CC=C3)NC(=O)N

DOS

IR

Vibrations