Geometry & MOs

Info

ID:	177151
PubChem CID:	76141806
Reduced:	FN2O7C33H37 (1)
Stoich.:	AB2C7D33E37 (1)
Weight, g/mol:	526.235539
ΔH_f, kcal/mol:	-274.46
Dipole, Da:	8.82
IP(EA), eV:	-8.79(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dibenzyl 2-hydroxy-3-(5-naphthalen-2-ylpentoxy)butanedioate

Drug info:

PubChemData

Smile

CCC1=CC(=CC(=C1NC(=O)CN2CC(C(C2C3=CC=C(C=C3)OCOC)C(=O)O)C4=CC5=C(C(=C4)F)OCO5)CC)C

DOS

IR

Vibrations