Geometry & MOs

Info

ID:	240452
PubChem CID:	93580183
Reduced:	BrClNSO5C19H23 (1)
Stoich.:	ABCDE5F19G23 (1)
Weight, g/mol:	417.207072
ΔH_f, kcal/mol:	-166.71
Dipole, Da:	3.5
IP(EA), eV:	-9.19(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(4-chloro-3-methylphenoxy)-3-[(4-ethylphenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]propan-2-ol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC[C@H](CN(CC2=CC=C(O2)Br)[C@@H]3CCS(=O)(=O)C3)O)Cl

DOS

IR

Vibrations