Geometry & MOs

Info

ID:	240397
PubChem CID:	93578174
Reduced:	FNO3C22H28 (1)
Stoich.:	ABC3D22E28 (1)
Weight, g/mol:	432.208279
ΔH_f, kcal/mol:	-145.03
Dipole, Da:	5.47
IP(EA), eV:	-8.33(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations