Geometry & MOs

Info

ID:	240391
PubChem CID:	93578146
Reduced:	ClFNSO4C21H25 (1)
Stoich.:	ABCDE4F21G25 (1)
Weight, g/mol:	441.117685
ΔH_f, kcal/mol:	-188.02
Dipole, Da:	7.89
IP(EA), eV:	-8.72(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(2-chloro-6-fluorophenyl)methyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-3-(4-methylphenoxy)propan-2-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC[C@@H](CN(CC2=C(C=CC=C2Cl)F)[C@@H]3CCS(=O)(=O)C3)O

DOS

IR

Vibrations