Geometry & MOs

Info

ID:	240376
PubChem CID:	93578024
Reduced:	BrNSO5C18H22 (1)
Stoich.:	ABCD5E18F22 (1)
Weight, g/mol:	369.230394
ΔH_f, kcal/mol:	-148.96
Dipole, Da:	4.91
IP(EA), eV:	-9.09(-0.76)
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-phenoxypropan-2-ol

Drug info:

PubChemData

Smile

C1CS(=O)(=O)C[C@@H]1N(CC2=CC=C(O2)Br)C[C@@H](COC3=CC=CC=C3)O

DOS

IR

Vibrations