Geometry & MOs

Info

ID:	89786
PubChem CID:	49964489
Reduced:	ON5C15H17 (1)
Stoich.:	AB5C15D17 (1)
Weight, g/mol:	455.181353
ΔH_f, kcal/mol:	73.82
Dipole, Da:	4.66
IP(EA), eV:	-10.02(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-(2-phenylethyl)-5-(2-piperidin-1-ylethylsulfanyl)-4-thia-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,5-trien-8-one

Drug info:

PubChemData

Smile

CC1CCC2(CC1)C3=NN=NN3C4=CC=CC=C4C(=O)N2

DOS

IR

Vibrations