Geometry & MOs

Info

ID:	334545
PubChem CID:	127253220
Reduced:	N3O5H17C22 (1)
Stoich.:	A3B5C17D22 (1)
Weight, g/mol:	473.179815
ΔH_f, kcal/mol:	-50.63
Dipole, Da:	1.96
IP(EA), eV:	-8.49(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-hydroxy-3-methoxyphenyl)-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-N-[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]propanamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CN2C3=C(C4=C(C2=O)C(=C(C=C4)OC)OC)C(=O)C5=CC=CC=C53

DOS

IR

Vibrations