Geometry & MOs

Info

ID:	176794
PubChem CID:	76101087
Reduced:	S3O6N9C19H19 (1)
Stoich.:	A3B6C9D19E19 (1)
Weight, g/mol:	378.180424
ΔH_f, kcal/mol:	3.42
Dipole, Da:	7.27
IP(EA), eV:	-9.09(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-amino-6-oxo-1,2,3,4,5,7,8,9-octahydropurin-8-yl)-N-(9H-fluoren-2-yl)acetamide

Drug info:

PubChemData

Smile

C#CCON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=NN4CCO)C(=O)O

DOS

IR

Vibrations