Geometry & MOs

Info

ID:	190287
PubChem CID:	77981377
Reduced:	PN3C6O8H13 (1)
Stoich.:	AB3C6D8E13 (1)
Weight, g/mol:	462.090423
ΔH_f, kcal/mol:	-330.29
Dipole, Da:	0.52
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.762658
Charge, e:	0

Chem-info

IUPAC name:

3-[6-(2-chloro-4-fluorophenyl)-2-(trifluoromethyl)-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-N-pentan-3-ylprop-2-enamide

Drug info:

PubChemData

Smile

C(C1C(C(C(C(O1)O[P+](O)(O)O)O)O)O)N=[N+]=[N-]

DOS

IR

Vibrations