Geometry & MOs

Info

ID:	12227
PubChem CID:	133035
Reduced:	OSN2Cl3C19H25 (1)
Stoich.:	ABC2D3E19F25 (1)
Weight, g/mol:	434.075318
ΔH_f, kcal/mol:	-85.36
Dipole, Da:	2.92
IP(EA), eV:	-8.91(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-5,6-dichloro-2,3-dihydro-1H-inden-1-yl]-[(3R)-3-(pyrrolidin-1-ylmethyl)thiomorpholin-4-yl]methanone;hydrochloride

Drug info:

PubChemData

Smile

C1CCN(C1)C[C@@H]2CSCCN2C(=O)[C@H]3CCC4=CC(=C(C=C34)Cl)Cl.Cl

DOS

IR

Vibrations