Geometry & MOs

Info

ID:	308407
PubChem CID:	125326933
Reduced:	O3N6H10C11 (1)
Stoich.:	A3B6C10D11 (1)
Weight, g/mol:	227.036462
ΔH_f, kcal/mol:	-6.01
Dipole, Da:	8.61
IP(EA), eV:	-9.62(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-2,3-dihydrofuran-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)/C=N\NC(=O)C[C@@H]2C(=O)NC(=O)N=N2

DOS

IR

Vibrations