Geometry & MOs

Info

ID:	222771
PubChem CID:	85332438
Reduced:	BrSO2N5C24H28 (1)
Stoich.:	ABC2D5E24F28 (1)
Weight, g/mol:	524.176795
ΔH_f, kcal/mol:	10.41
Dipole, Da:	7.79
IP(EA), eV:	-8.82(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carbonyl]-N'-ethyl-N-(1-oxo-2,3-dihydroisoindol-4-yl)propanediamide

Drug info:

PubChemData

Smile

C1CN(CCC1(C2=CC=C(C=C2)Br)O)C(=O)C(C3=CC=CC=C3)N4CNC5C(C4=S)CNN5

DOS

IR

Vibrations