Geometry & MOs

Info

ID:	240454
PubChem CID:	93580204
Reduced:	ClNSO4C22H28 (1)
Stoich.:	ABCD4E22F28 (1)
Weight, g/mol:	431.21303
ΔH_f, kcal/mol:	-159.42
Dipole, Da:	3.8
IP(EA), eV:	-8.97(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(3,5-dimethylphenoxy)-3-[[(3R)-1,1-dioxothiolan-3-yl]-[(4-ethylphenyl)methyl]amino]propan-2-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations