Geometry & MOs

Info

ID:	391628
PubChem CID:	135007308
Reduced:	O3F6H12C17 (1)
Stoich.:	A3B6C12D17 (1)
Weight, g/mol:	311.155515
ΔH_f, kcal/mol:	-383.37
Dipole, Da:	2.2
IP(EA), eV:	-8.96(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[(R)-tert-butylsulfinyl]amino]-3-phenylbutanoate

Drug info:

PubChemData

Smile

C=C([C@@H](C1=CC=CC2=CC=CC=C21)O)C(=O)OC(C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations