Geometry & MOs

Info

ID:	85270
PubChem CID:	49873349
Reduced:	ClSN3O3C26H30 (1)
Stoich.:	ABC3D3E26F30 (1)
Weight, g/mol:	504.202715
ΔH_f, kcal/mol:	-71.48
Dipole, Da:	5.55
IP(EA), eV:	-8.9(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1R,3S)-6-chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl]-1,2,2-trimethylpiperazine;(2R,3R)-2,3-dihydroxybutanedioic acid

Drug info:

PubChemData

Smile

C1CC(CCC1CCN2C[C@H]3COC4=C([C@@H]3C2)C=C(C=C4)C#N)NS(=O)(=O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations