Geometry & MOs

Info

ID:	219943
PubChem CID:	85165071
Reduced:	O7C15H18 (2)
Stoich.:	A7B15C18 (2)
Weight, g/mol:	619.266893
ΔH_f, kcal/mol:	-529.36
Dipole, Da:	8.73
IP(EA), eV:	-8.75(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-O-benzhydryl 1-O-tert-butyl 4-(6-amino-3-benzoylpurin-3-ium-9-yl)pyrrolidine-1,2-dicarboxylate

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=C(C3=O)C(=CC(=C4)OC)OC)C5=CC=C(C=C5)OC)C)O)O)O)O)O

DOS

IR

Vibrations