Geometry & MOs

Info

ID:	329234
PubChem CID:	126732829
Reduced:	NSO5C13H23 (1)
Stoich.:	ABC5D13E23 (1)
Weight, g/mol:	342.138658
ΔH_f, kcal/mol:	-256.36
Dipole, Da:	3.53
IP(EA), eV:	-9.62(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chlorophenyl)-3-[(1R,2S)-2-hydroxy-1-propan-2-yl-2,3-dihydro-1H-inden-4-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1[C@@H]2CCC1CC(C2)OS(=O)(=O)C

DOS

IR

Vibrations