Geometry & MOs

Info

ID:	397956
PubChem CID:	135031130
Reduced:	BrSO4H15C16 (1)
Stoich.:	ABC4D15E16 (1)
Weight, g/mol:	314.128311
ΔH_f, kcal/mol:	-119.05
Dipole, Da:	7.68
IP(EA), eV:	-9.5(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-2-diethoxyphosphoryl-2-(2-methylphenyl)acetate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H](C1=CC=C(C=C1)Br)S(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations