Geometry & MOs

Info

ID:	132640
PubChem CID:	51390363
Reduced:	BrON4C13H23 (1)
Stoich.:	ABC4D13E23 (1)
Weight, g/mol:	424.028943
ΔH_f, kcal/mol:	-29.24
Dipole, Da:	1.46
IP(EA), eV:	-8.65(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

5-[5-[(2,4-dichlorophenoxy)methyl]furan-2-yl]-4-[[(2R)-oxolan-2-yl]methyl]-1,2,4-triazole-3-thiolate

Drug info:

PubChemData

Smile

CCN(CC)C[C@H](C)NC(=O)C1=C(C(=NN1C)C)Br

DOS

IR

Vibrations