Geometry & MOs

Info

ID:	240458
PubChem CID:	93580250
Reduced:	NO6C26H37 (1)
Stoich.:	AB6C26D37 (1)
Weight, g/mol:	385.171165
ΔH_f, kcal/mol:	-222.5
Dipole, Da:	3.97
IP(EA), eV:	-8.46(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(3,5-dimethylphenoxy)-3-[furan-2-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)OC[C@@H](CN(C[C@@H]2CCCO2)CC3=CC(=C(C(=C3)OC)OC)OC)O)C

DOS

IR

Vibrations