Geometry & MOs

Info

ID:	33280
PubChem CID:	7885805
Reduced:	S2O3N4C19H22 (1)
Stoich.:	A2B3C4D19E22 (1)
Weight, g/mol:	345.151098
ΔH_f, kcal/mol:	-71.28
Dipole, Da:	1.78
IP(EA), eV:	-8.79(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one

Drug info:

PubChemData

Smile

C=CCN1C(=O)C2=C(N=C1SCC(=O)NC(=O)NC3CC3)SC4=C2CCCC4

DOS

IR

Vibrations