Geometry & MOs

Info

ID:	240474
PubChem CID:	93580575
Reduced:	FNO4C22H22 (1)
Stoich.:	ABC4D22E22 (1)
Weight, g/mol:	437.106372
ΔH_f, kcal/mol:	-122.18
Dipole, Da:	3.95
IP(EA), eV:	-9.4(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations