Geometry & MOs

Info

ID:	136677
PubChem CID:	52083711
Reduced:	SCl2O3N5H13C18 (1)
Stoich.:	AB2C3D5E13F18 (1)
Weight, g/mol:	457.097538
ΔH_f, kcal/mol:	29.52
Dipole, Da:	3.8
IP(EA), eV:	-9.15(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-(4-propan-2-ylphenoxy)acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1OCC2=NN=C3N2N=C(S3)NC(=O)COC4=CC=C(C=C4)Cl)Cl

DOS

IR

Vibrations