Geometry & MOs

Info

ID:	271243
PubChem CID:	103650126
Reduced:	SN2F3O3C11H13 (1)
Stoich.:	AB2C3D3E11F13 (1)
Weight, g/mol:	302.024039
ΔH_f, kcal/mol:	-182.49
Dipole, Da:	8.35
IP(EA), eV:	-9.56(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-chloro-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-1,3-thiazole-5-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CNCCSC(F)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations