Geometry & MOs

Info

ID:	168010
PubChem CID:	74911958
Reduced:	SO2N3C17H23 (1)
Stoich.:	AB2C3D17E23 (1)
Weight, g/mol:	302.126657
ΔH_f, kcal/mol:	-62.72
Dipole, Da:	6.77
IP(EA), eV:	-8.94(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenoxy]but-2-enoate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)SC2NC(CC(=O)N2)CC(=O)NC3CC3

DOS

IR

Vibrations