Geometry & MOs

Info

ID:	240575
PubChem CID:	93581511
Reduced:	NO5C26H35 (1)
Stoich.:	AB5C26D35 (1)
Weight, g/mol:	417.195151
ΔH_f, kcal/mol:	-169.94
Dipole, Da:	4.26
IP(EA), eV:	-8.73(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)CN(C[C@H]2CCCO2)C[C@@H](COC3=C(C=C(C=C3)C=O)OC)O

DOS

IR

Vibrations