Geometry & MOs

Info

ID:	240482
PubChem CID:	93580831
Reduced:	NSO8C24H31 (1)
Stoich.:	ABC8D24E31 (1)
Weight, g/mol:	459.225702
ΔH_f, kcal/mol:	-269.37
Dipole, Da:	4.67
IP(EA), eV:	-8.83(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-2-hydroxy-3-[[(2R)-oxolan-2-yl]methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]propoxy]benzaldehyde

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)CN(C[C@H](COC2=CC=CC=C2C=O)O)[C@@H]3CCS(=O)(=O)C3

DOS

IR

Vibrations