Geometry & MOs

Info

ID:	240450
PubChem CID:	93580023
Reduced:	BrFNO3C21H25 (1)
Stoich.:	ABCD3E21F25 (1)
Weight, g/mol:	409.147843
ΔH_f, kcal/mol:	-130.38
Dipole, Da:	2.26
IP(EA), eV:	-8.99(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@H](OC1)CN(CC2=CC=C(C=C2)F)C[C@@H](COC3=CC=CC=C3Br)O

DOS

IR

Vibrations