Geometry & MOs

Info

ID:	228674
PubChem CID:	87565523
Reduced:	Br2O2C15H28 (1)
Stoich.:	A2B2C15D28 (1)
Weight, g/mol:	577.07415
ΔH_f, kcal/mol:	-153.3
Dipole, Da:	2.84
IP(EA), eV:	-10.52(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1S,2R,4S,5S,6S)-5-[6-[(3-chlorophenyl)methylamino]-2-iodopurin-9-yl]-3,3-dimethyltricyclo[4.1.0.02,4]heptane-1-carboxylate

Drug info:

PubChemData

Smile

CC(CCCCCCCCCCCCBr)(C(=O)O)Br

DOS

IR

Vibrations