Geometry & MOs

Info

ID:	251532
PubChem CID:	103104706
Reduced:	SO2N3F6C9H9 (1)
Stoich.:	AB2C3D6E9F9 (1)
Weight, g/mol:	305.073574
ΔH_f, kcal/mol:	-344.56
Dipole, Da:	1.7
IP(EA), eV:	-10.38(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-5-(trifluoromethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CCSC(F)(F)F)C(F)(F)F

DOS

IR

Vibrations