Geometry & MOs

Info

ID:	31471
PubChem CID:	855760
Reduced:	SN3O3C15H19 (1)
Stoich.:	AB3C3D15E19 (1)
Weight, g/mol:	308.094312
ΔH_f, kcal/mol:	-63.56
Dipole, Da:	5.33
IP(EA), eV:	-9.12(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(furan-2-yl)-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CN1C(=NN=C1SCC(=O)OC2CCCCC2)C3=CC=CO3

DOS

IR

Vibrations