Geometry & MOs

Info

ID:	240490
PubChem CID:	93580934
Reduced:	FNO4C22H26 (1)
Stoich.:	ABC4D22E26 (1)
Weight, g/mol:	421.135922
ΔH_f, kcal/mol:	-168.33
Dipole, Da:	6.9
IP(EA), eV:	-9.2(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-3-[[(3R)-1,1-dioxothiolan-3-yl]-[(3-fluorophenyl)methyl]amino]-2-hydroxypropoxy]benzaldehyde

Drug info:

PubChemData

Smile

C1C[C@H](OC1)CN(CC2=CC(=CC=C2)F)C[C@H](COC3=CC=CC=C3C=O)O

DOS

IR

Vibrations