Geometry & MOs

Info

ID:	231880
PubChem CID:	87574843
Reduced:	NO6C20H23 (1)
Stoich.:	AB6C20D23 (1)
Weight, g/mol:	554.211153
ΔH_f, kcal/mol:	-122.72
Dipole, Da:	3.85
IP(EA), eV:	-9.21(-0.89)
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]-fluoromethyl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC1(COC1)COC(=O)CC2(CC(=C(C=C2)OC)C3=CC=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations