Geometry & MOs

Info

ID:	240500
PubChem CID:	93581056
Reduced:	NO5C21H27 (1)
Stoich.:	AB5C21D27 (1)
Weight, g/mol:	403.18173
ΔH_f, kcal/mol:	-161.35
Dipole, Da:	3.76
IP(EA), eV:	-9.01(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2S)-2-hydroxy-3-[(3-methylthiophen-2-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]propoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)OC[C@@H](CN(C[C@@H]2CCCO2)CC3=CC=CO3)O

DOS

IR

Vibrations