Geometry & MOs

Info

ID:	136671
PubChem CID:	52083359
Reduced:	ClOSN5H12C17 (1)
Stoich.:	ABCD5E12F17 (1)
Weight, g/mol:	409.120861
ΔH_f, kcal/mol:	99.93
Dipole, Da:	4.02
IP(EA), eV:	-9.33(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(2-methoxyphenoxy)-N-[3-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN=C3N2N=C(S3)NC(=O)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations