Geometry & MOs

Info

ID:	240571
PubChem CID:	93581501
Reduced:	FNSO6C22H26 (1)
Stoich.:	ABCD6E22F26 (1)
Weight, g/mol:	427.235873
ΔH_f, kcal/mol:	-235.69
Dipole, Da:	6.16
IP(EA), eV:	-8.74(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2S)-3-[(4-ethylphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-2-hydroxypropoxy]-3-methoxybenzaldehyde

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=O)OC[C@H](CN(CC2=CC=CC=C2F)[C@@H]3CCS(=O)(=O)C3)O

DOS

IR

Vibrations