Geometry & MOs

Info

ID:	31217
PubChem CID:	855225
Reduced:	OSN4C18H26 (1)
Stoich.:	ABC4D18E26 (1)
Weight, g/mol:	344.094312
ΔH_f, kcal/mol:	-8.84
Dipole, Da:	5.54
IP(EA), eV:	-8.92(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(4-methoxyphenyl)-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCCN1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)C(C)C

DOS

IR

Vibrations