Geometry & MOs

Info

ID:	196000
PubChem CID:	78763434
Reduced:	SO3N4C22H28 (1)
Stoich.:	AB3C4D22E28 (1)
Weight, g/mol:	360.161997
ΔH_f, kcal/mol:	-42.02
Dipole, Da:	2.47
IP(EA), eV:	-8.47(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC(C)N(C(C)C)C(=O)CSC1=NN=C(N1CC2=CC=CO2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations