Geometry & MOs

Info

ID:	136669
PubChem CID:	52083071
Reduced:	N2O3C27H30 (1)
Stoich.:	A2B3C27D30 (1)
Weight, g/mol:	413.071324
ΔH_f, kcal/mol:	-61.29
Dipole, Da:	4.32
IP(EA), eV:	-8.52(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(4-chloro-3-methylphenoxy)-N-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)CN(C2=CC=CC=N2)C(=O)CC3=CC4=C(C=C3)OCCCO4

DOS

IR

Vibrations