Geometry & MOs

Info

ID:	121094
PubChem CID:	50755543
Reduced:	O2S2N5H15C22 (1)
Stoich.:	A2B2C5D15E22 (1)
Weight, g/mol:	393.168856
ΔH_f, kcal/mol:	114.14
Dipole, Da:	3.36
IP(EA), eV:	-8.66(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CS2)CSC3=NN=C4N3C(=NC5=CC=CC=C54)C6=CC=CO6

DOS

IR

Vibrations