Geometry & MOs

Info

ID:	219306
PubChem CID:	85098634
Reduced:	N2O6C47H62 (1)
Stoich.:	A2B6C47D62 (1)
Weight, g/mol:	754.21626
ΔH_f, kcal/mol:	-210.33
Dipole, Da:	8.91
IP(EA), eV:	-8.53(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,3,4,5-tetrabenzoyloxy-5-(5-methyl-1,2,4-oxadiazol-3-yl)pentyl] benzoate

Drug info:

PubChemData

Smile

CC(=C)C1C(=O)C2=C3N1C4=C(C3=CC5=C2C(C6C5=CC(OC6(C)C)(C)C)O)CC7C4(C8(CCC(C(C8CC7)(C)C=CC=C(C)C(=O)NCCCOC)O)C)C

DOS

IR

Vibrations