Geometry & MOs

Info

ID:	89771
PubChem CID:	49964430
Reduced:	NO3C9H11 (2)
Stoich.:	AB3C9D11 (2)
Weight, g/mol:	469.160617
ΔH_f, kcal/mol:	-247.37
Dipole, Da:	1.59
IP(EA), eV:	-9.51(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)CNC(=O)C1CCCN1C(=O)C2=CC=CC=C2OC(=O)C

DOS

IR

Vibrations