Geometry & MOs

Info

ID:	397820
PubChem CID:	135030788
Reduced:	OC26H26 (1)
Stoich.:	AB26C26 (1)
Weight, g/mol:	454.173146
ΔH_f, kcal/mol:	28.69
Dipole, Da:	3.02
IP(EA), eV:	-8.75(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[9-[[acetyl(methyl)amino]methyl]-6-chloropurin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

Drug info:

PubChemData

Smile

C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)C#CC5=CC=CC=C5

DOS

IR

Vibrations