Geometry & MOs

Info

ID:	240547
PubChem CID:	93581351
Reduced:	FNO4C23H28 (1)
Stoich.:	ABC4D23E28 (1)
Weight, g/mol:	435.151572
ΔH_f, kcal/mol:	-177.61
Dipole, Da:	6.31
IP(EA), eV:	-9.09(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)C1=CC=CC=C1OC[C@H](CN(C[C@@H]2CCCO2)CC3=CC=CC=C3F)O

DOS

IR

Vibrations