Geometry & MOs

Info

ID:	240562
PubChem CID:	93581450
Reduced:	NO6C24H27 (1)
Stoich.:	AB6C24D27 (1)
Weight, g/mol:	413.163851
ΔH_f, kcal/mol:	-146.6
Dipole, Da:	4.41
IP(EA), eV:	-8.7(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2S)-3-[(3-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-hydroxypropoxy]-3-methoxybenzaldehyde

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CN(CC2=CC=CO2)C[C@@H](COC3=C(C=C(C=C3)C=O)OC)O

DOS

IR

Vibrations