Geometry & MOs

Info

ID:	371149
PubChem CID:	127342593
Reduced:	SO2N3C10H17 (1)
Stoich.:	AB2C3D10E17 (1)
Weight, g/mol:	356.184841
ΔH_f, kcal/mol:	-89.7
Dipole, Da:	3.55
IP(EA), eV:	-8.75(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-yl)-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1CCC(C1=O)NC(=O)N2CCSCC2

DOS

IR

Vibrations