Geometry & MOs

Info

ID:	240532
PubChem CID:	93581327
Reduced:	NSO6C20H25 (1)
Stoich.:	ABC6D20E25 (1)
Weight, g/mol:	401.200237
ΔH_f, kcal/mol:	-195.34
Dipole, Da:	1.76
IP(EA), eV:	-9.6(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2R)-3-[(4-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-hydroxypropoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC=CC=C1OC[C@H](CN(CC2=CC=CO2)[C@@H]3CCS(=O)(=O)C3)O

DOS

IR

Vibrations