Geometry & MOs

Info

ID:	240564
PubChem CID:	93581456
Reduced:	FNO5C23H24 (1)
Stoich.:	ABC5D23E24 (1)
Weight, g/mol:	453.215138
ΔH_f, kcal/mol:	-154.58
Dipole, Da:	7.98
IP(EA), eV:	-8.62(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2S)-3-[furan-2-ylmethyl-[(2-propoxyphenyl)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)CC3=CC=CO3)O

DOS

IR

Vibrations