Geometry & MOs

Info

ID:	436504
PubChem CID:	135204656
Reduced:	Cl2N4O4H16C19 (1)
Stoich.:	A2B4C4D16E19 (1)
Weight, g/mol:	234.067428
ΔH_f, kcal/mol:	-49.48
Dipole, Da:	5.56
IP(EA), eV:	-9.17(-2.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl methanesulfonate

Drug info:

PubChemData

Smile

CC1=CC(=NC(=O)C2=C(N(NN2)CC3=CC(=C(C=C3)Cl)Cl)C)C=C(C1=O)C(=O)O

DOS

IR

Vibrations