Geometry & MOs

Info

ID:	240420
PubChem CID:	93578310
Reduced:	FNSO4C21H26 (1)
Stoich.:	ABCD4E21F26 (1)
Weight, g/mol:	407.156658
ΔH_f, kcal/mol:	-183.77
Dipole, Da:	6.01
IP(EA), eV:	-8.97(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[[(3R)-1,1-dioxothiolan-3-yl]-[(2-fluorophenyl)methyl]amino]-3-(3-methylphenoxy)propan-2-ol

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OC[C@@H](CN(CC2=CC=CC=C2F)[C@@H]3CCS(=O)(=O)C3)O

DOS

IR

Vibrations