Geometry & MOs

Info

ID:	240411
PubChem CID:	93578288
Reduced:	FNO3C22H28 (1)
Stoich.:	ABC3D22E28 (1)
Weight, g/mol:	457.088135
ΔH_f, kcal/mol:	-143.97
Dipole, Da:	2.06
IP(EA), eV:	-8.76(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[(2,4-dichlorophenyl)methyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-3-(3-methylphenoxy)propan-2-ol

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OC[C@@H](CN(C[C@@H]2CCCO2)CC3=CC=C(C=C3)F)O

DOS

IR

Vibrations