Geometry & MOs

Info

ID:	155650
PubChem CID:	56366627
Reduced:	N3O3S3C21H23 (1)
Stoich.:	A3B3C3D21E23 (1)
Weight, g/mol:	457.167142
ΔH_f, kcal/mol:	-48.69
Dipole, Da:	3.06
IP(EA), eV:	-8.84(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)CNC(=O)CC3=CSC(=N3)C4=CSC=C4

DOS

IR

Vibrations