Geometry & MOs

Info

ID:	149464
PubChem CID:	53789137
Reduced:	O3C10H16 (1)
Stoich.:	A3B10C16 (1)
Weight, g/mol:	396.193674
ΔH_f, kcal/mol:	-141.96
Dipole, Da:	3.41
IP(EA), eV:	-10.08(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dibenzyl 2-[(3R)-5-methyl-2-oxohexan-3-yl]propanedioate

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)C)C(=C)C(=O)O

DOS

IR

Vibrations