Geometry & MOs

Info

ID:	251605
PubChem CID:	103105246
Reduced:	SO2N4C12H16 (1)
Stoich.:	AB2C4D12E16 (1)
Weight, g/mol:	301.109627
ΔH_f, kcal/mol:	-10.29
Dipole, Da:	4.92
IP(EA), eV:	-10.0(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(1,1-dioxothiolan-3-yl)-5-propan-2-yltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC2=CSC=N2)C(C)C

DOS

IR

Vibrations