Geometry & MOs

Info

ID:	253264
PubChem CID:	103117274
Reduced:	N4O4C15H26 (1)
Stoich.:	A4B4C15D26 (1)
Weight, g/mol:	344.151826
ΔH_f, kcal/mol:	-178.35
Dipole, Da:	7.01
IP(EA), eV:	-10.22(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethylsulfanylethyl)-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC(CC)N1C(=C(N=N1)C(=O)O)CCNC(=O)OC(C)(C)C

DOS

IR

Vibrations