Geometry & MOs

Info

ID:	195998
PubChem CID:	78762978
Reduced:	SO2N4C20H26 (1)
Stoich.:	AB2C4D20E26 (1)
Weight, g/mol:	426.172562
ΔH_f, kcal/mol:	-3.28
Dipole, Da:	3.75
IP(EA), eV:	-8.52(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=NN=C(N2CC=C)SCC(=O)N3CCCCCC3

DOS

IR

Vibrations