Geometry & MOs

Info

ID:	253016
PubChem CID:	103115487
Reduced:	FSO2N4C11H13 (1)
Stoich.:	ABC2D4E11F13 (1)
Weight, g/mol:	278.112738
ΔH_f, kcal/mol:	-58.18
Dipole, Da:	2.83
IP(EA), eV:	-9.25(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-acetamidoethyl)-5-(3-methylimidazol-4-yl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C2=C(N=NN2CCF)C(=O)OC

DOS

IR

Vibrations