Geometry & MOs

Info

ID:	240443
PubChem CID:	93579533
Reduced:	FNS2O4C18H22 (1)
Stoich.:	ABC2D4E18F22 (1)
Weight, g/mol:	437.167222
ΔH_f, kcal/mol:	-165.42
Dipole, Da:	5.73
IP(EA), eV:	-9.26(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[[(3R)-1,1-dioxothiolan-3-yl]-[(4-ethoxyphenyl)methyl]amino]-3-(4-fluorophenoxy)propan-2-ol

Drug info:

PubChemData

Smile

C1CS(=O)(=O)C[C@@H]1N(CC2=CC=CS2)C[C@H](COC3=CC=C(C=C3)F)O

DOS

IR

Vibrations