Geometry & MOs

Info

ID:	384946
PubChem CID:	134978008
Reduced:	PS2O6C28H29 (1)
Stoich.:	AB2C6D28E29 (1)
Weight, g/mol:	471.09628
ΔH_f, kcal/mol:	-191.27
Dipole, Da:	9.79
IP(EA), eV:	-9.59(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(bromo-methyl-diphenyl-lambda5-phosphanyl)ethyl (2S)-2-amino-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OP(CCCS(=O)(=O)O)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations