Geometry & MOs

Info

ID:	31251
PubChem CID:	855349
Reduced:	SO2N4C17H18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	319.110296
ΔH_f, kcal/mol:	18.29
Dipole, Da:	5.98
IP(EA), eV:	-8.88(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC)C3=CC=CO3

DOS

IR

Vibrations