Geometry & MOs

Info

ID:	82293
PubChem CID:	49855858
Reduced:	S2O5F6N6H30C32 (1)
Stoich.:	A2B5C6D6E30F32 (1)
Weight, g/mol:	212.138858
ΔH_f, kcal/mol:	-373.06
Dipole, Da:	3.44
IP(EA), eV:	-8.71(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

lithium;(2S)-2-[4-(2-methylpropyl)phenyl]propanoate

Drug info:

PubChemData

Smile

CC1=C(C=CN=C1C[S@@](=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F.CC1=C(C=CN=C1C[S@@](=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F.O

DOS

IR

Vibrations