Geometry & MOs

Info

ID:	240569
PubChem CID:	93581487
Reduced:	ClFNSO6C22H25 (1)
Stoich.:	ABCDE6F22G25 (1)
Weight, g/mol:	419.176644
ΔH_f, kcal/mol:	-243.71
Dipole, Da:	8.26
IP(EA), eV:	-8.85(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=O)OC[C@H](CN(CC2=C(C=CC=C2Cl)F)[C@@H]3CCS(=O)(=O)C3)O

DOS

IR

Vibrations