Geometry & MOs

Info

ID:	224942
PubChem CID:	85734957
Reduced:	BH23C28 (1)
Stoich.:	AB23C28 (1)
Weight, g/mol:	299.135528
ΔH_f, kcal/mol:	81.92
Dipole, Da:	0.35
IP(EA), eV:	-8.2(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butylsulfanylethyl 2-amino-3-(4-fluorophenyl)propanoate

Drug info:

PubChemData

Smile

B(C1=CC=CC=C1C)(C2=CC=CC=C2C)C3=C4C=CC=CC4=CC5=CC=CC=C35

DOS

IR

Vibrations