Geometry & MOs

Info

ID:	189148
PubChem CID:	77823704
Reduced:	ON3C24H31 (1)
Stoich.:	AB3C24D31 (1)
Weight, g/mol:	522.04741
ΔH_f, kcal/mol:	-15.06
Dipole, Da:	4.45
IP(EA), eV:	-9.06(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dihydro-1H-inden-2-yl)-1-[[2-(hydroxymethyl)-4-methylsulfanylphenyl]methyl]-6-iodopiperazine-2,5-dione

Drug info:

PubChemData

Smile

CCC(CC)C1C(=O)NC(CN1CC2=CC=CC=N2)C3CC4=CC=CC=C4C3

DOS

IR

Vibrations