Geometry & MOs

Info

ID:	271074
PubChem CID:	103642757
Reduced:	F3N3O3H10C12 (1)
Stoich.:	A3B3C3D10E12 (1)
Weight, g/mol:	302.068491
ΔH_f, kcal/mol:	-199.5
Dipole, Da:	3.67
IP(EA), eV:	-10.17(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CN(N=N1)CC2=CC=C(C=C2)OC(F)(F)F

DOS

IR

Vibrations