Geometry & MOs

Info

ID:	79053
PubChem CID:	49746578
Reduced:	SO3N4C19H20 (1)
Stoich.:	AB3C4D19E20 (1)
Weight, g/mol:	412.120526
ΔH_f, kcal/mol:	10.69
Dipole, Da:	1.37
IP(EA), eV:	-8.31(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)CN2CC(C2)C3=NC(=NO3)C4=CC=CS4

DOS

IR

Vibrations