Geometry & MOs

Info

ID:	73389
PubChem CID:	48417590
Reduced:	S2O3N5H13C16 (1)
Stoich.:	A2B3C5D13E16 (1)
Weight, g/mol:	352.128388
ΔH_f, kcal/mol:	13.28
Dipole, Da:	4.0
IP(EA), eV:	-8.98(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CSC(=C1)S(=O)(=O)NC2=CC=C(C=C2)CC(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations