Geometry & MOs

Info

ID:	240418
PubChem CID:	93578308
Reduced:	NSO3C21H29 (1)
Stoich.:	ABC3D21E29 (1)
Weight, g/mol:	375.186815
ΔH_f, kcal/mol:	-107.55
Dipole, Da:	2.05
IP(EA), eV:	-8.67(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OC[C@@H](CN(C[C@@H]2CCCO2)CC3=C(C=CS3)C)O

DOS

IR

Vibrations