Geometry & MOs

Info

ID:	240457
PubChem CID:	93580242
Reduced:	ClSN2O2C13H21 (1)
Stoich.:	ABC2D2E13F21 (1)
Weight, g/mol:	459.262088
ΔH_f, kcal/mol:	-86.75
Dipole, Da:	5.73
IP(EA), eV:	-8.85(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(3,5-dimethylphenoxy)-3-[[(2S)-oxolan-2-yl]methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]propan-2-ol

Drug info:

PubChemData

Smile

C[C@@H](C(C)(C)C)N(C)S(=O)(=O)C1=C(C=CC(=C1)N)Cl

DOS

IR

Vibrations