Geometry & MOs

Info

ID:	240566
PubChem CID:	93581482
Reduced:	FNO5C23H28 (1)
Stoich.:	ABC5D23E28 (1)
Weight, g/mol:	417.195151
ΔH_f, kcal/mol:	-199.22
Dipole, Da:	7.0
IP(EA), eV:	-8.68(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=O)OC[C@@H](CN(C[C@@H]2CCCO2)CC3=CC=C(C=C3)F)O

DOS

IR

Vibrations