Geometry & MOs

Info

ID:	240423
PubChem CID:	93578313
Reduced:	BrNSO5C19H24 (1)
Stoich.:	ABCD5E19F24 (1)
Weight, g/mol:	383.246044
ΔH_f, kcal/mol:	-163.34
Dipole, Da:	5.23
IP(EA), eV:	-8.9(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations