Geometry & MOs

Info

ID:	138646
PubChem CID:	52399689
Reduced:	SO3N5C16H17 (1)
Stoich.:	AB3C5D16E17 (1)
Weight, g/mol:	345.168856
ΔH_f, kcal/mol:	-75.0
Dipole, Da:	2.08
IP(EA), eV:	-8.72(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethoxy-N-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-4-prop-2-enoxybenzamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C)SC2=CC=CC=C2NC(=O)C[C@H]3C(=O)NC(=O)N3

DOS

IR

Vibrations