Geometry & MOs

Info

ID:	240433
PubChem CID:	93578787
Reduced:	BrNSO6C19H24 (1)
Stoich.:	ABCD6E19F24 (1)
Weight, g/mol:	373.225308
ΔH_f, kcal/mol:	-183.63
Dipole, Da:	9.26
IP(EA), eV:	-8.75(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OC[C@H](CN(CC2=CC=C(O2)Br)[C@@H]3CCS(=O)(=O)C3)O

DOS

IR

Vibrations