Geometry & MOs

Info

ID:	308008
PubChem CID:	125311753
Reduced:	N3O3H23C24 (1)
Stoich.:	A3B3C23D24 (1)
Weight, g/mol:	406.149718
ΔH_f, kcal/mol:	-2.92
Dipole, Da:	1.16
IP(EA), eV:	-8.65(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[[1-(2-cyclopentylsulfanylacetyl)piperidin-4-yl]methyl]-4-thiophen-2-yl-3H-1,2,4-triazol-5-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1[C@@H]2[C@H]3C(=C4C=CC=CC4=N3)C[C@H]5N2C(=O)CN(C5=O)CC=C

DOS

IR

Vibrations