Geometry & MOs

Info

ID:	323266
PubChem CID:	126673907
Reduced:	SN3C5H7 (1)
Stoich.:	AB3C5D7 (1)
Weight, g/mol:	410.0451
ΔH_f, kcal/mol:	64.19
Dipole, Da:	3.9
IP(EA), eV:	-8.42(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[5-iodo-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]triazol-1-yl]acetate

Drug info:

PubChemData

Smile

C1=CNN(C=C1)C(=S)N

DOS

IR

Vibrations