Geometry & MOs

Info

ID:	218147
PubChem CID:	85088951
Reduced:	O9C22H26 (1)
Stoich.:	A9B22C26 (1)
Weight, g/mol:	434.136553
ΔH_f, kcal/mol:	-356.48
Dipole, Da:	1.2
IP(EA), eV:	-9.01(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dibenzyl 2-benzoyloxy-3-hydroxybutanedioate

Drug info:

PubChemData

Smile

CC(=O)C1=C(C=CC(=C1CCC2=CC=C(C=C2)O)OC3C(C(C(C(O3)CO)O)O)O)O

DOS

IR

Vibrations