Geometry & MOs

Info

ID:	240498
PubChem CID:	93581042
Reduced:	FNO4C23H28 (1)
Stoich.:	ABC4D23E28 (1)
Weight, g/mol:	501.162137
ΔH_f, kcal/mol:	-176.81
Dipole, Da:	3.02
IP(EA), eV:	-9.27(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2S)-3-[[(3R)-1,1-dioxothiolan-3-yl]-[[5-(4-fluorophenyl)furan-2-yl]methyl]amino]-2-hydroxypropoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations