Geometry & MOs

Info

ID:	144623
PubChem CID:	53388085
Reduced:	BrClO6H24C27 (1)
Stoich.:	ABC6D24E27 (1)
Weight, g/mol:	510.144531
ΔH_f, kcal/mol:	-156.8
Dipole, Da:	3.83
IP(EA), eV:	-9.44(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (2R,3S)-2-[(E)-2-(4-chlorophenyl)ethenyl]-2-hydroxy-3-(4-methoxyphenyl)-3-phenylmethoxybutanedioate

Drug info:

PubChemData

Smile

COC(=O)[C@@](/C=C/C1=CC=C(C=C1)Cl)([C@@](C2=CC=C(C=C2)Br)(C(=O)OC)OCC3=CC=CC=C3)O

DOS

IR

Vibrations