Geometry & MOs

Info

ID:	252428
PubChem CID:	103111315
Reduced:	SO2N5C10H13 (1)
Stoich.:	AB2C5D10E13 (1)
Weight, g/mol:	258.115047
ΔH_f, kcal/mol:	6.85
Dipole, Da:	2.73
IP(EA), eV:	-9.85(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(aminomethyl)-1-(2-ethylsulfanylethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC2=NC=CS2)CN

DOS

IR

Vibrations