Geometry & MOs

Info

ID:	240441
PubChem CID:	93579521
Reduced:	ClFNSO4C20H23 (1)
Stoich.:	ABCDE4F20G23 (1)
Weight, g/mol:	436.183207
ΔH_f, kcal/mol:	-182.49
Dipole, Da:	4.15
IP(EA), eV:	-9.34(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[[4-(dimethylamino)phenyl]methyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-3-(4-fluorophenoxy)propan-2-ol

Drug info:

PubChemData

Smile

C1CS(=O)(=O)C[C@@H]1N(CC2=CC=C(C=C2)Cl)C[C@H](COC3=CC=C(C=C3)F)O

DOS

IR

Vibrations