Geometry & MOs

Info

ID:	381662
PubChem CID:	134972460
Reduced:	O18C27H38 (1)
Stoich.:	A18B27C38 (1)
Weight, g/mol:	424.03102
ΔH_f, kcal/mol:	-812.27
Dipole, Da:	4.87
IP(EA), eV:	-9.91(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dibenzyl 3-bromobenzene-1,2-dicarboxylate

Drug info:

PubChemData

Smile

CC(=O)OCC([C@H]1C(C([C@@H](O1)OCC([C@H]2C(C([C@@H](O2)OC)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations