Geometry & MOs

Info

ID:	84867
PubChem CID:	49870414
Reduced:	BrO6H17C18 (1)
Stoich.:	AB6C17D18 (1)
Weight, g/mol:	569.335253
ΔH_f, kcal/mol:	-180.72
Dipole, Da:	6.47
IP(EA), eV:	-8.44(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2S)-1-[2-(5-tetradecoxyfuran-2-carbonyl)oxyacetyl]pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC2=[O+]C(=C(C=C2C(=C1)OC)O)C3=CC(=C(C=C3)O)OC.[Br-]

DOS

IR

Vibrations