Geometry & MOs

Info

ID:	227647
PubChem CID:	87562158
Reduced:	HO3C4F7 (1)
Stoich.:	AB3C4D7 (1)
Weight, g/mol:	495.168873
ΔH_f, kcal/mol:	-390.47
Dipole, Da:	4.03
IP(EA), eV:	-11.56(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[2-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-1,3-benzothiazol-6-yl]pyridin-3-yl]-methylcarbamic acid

Drug info:

PubChemData

Smile

C(=O)(C(C(C(F)(F)F)(F)F)(OF)F)O

DOS

IR

Vibrations