Geometry & MOs

Info

ID:

59105

PubChem CID:

24770971

Reduced:

BrNO12C35H42 (1)

Stoich.:

ABC12D35E42 (1)

Weight, g/mol:

362.056402

ΔHf, kcal/mol:

-480.23

Dipole, Da:

6.39

IP(EA), eV:

 -8.49(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1S,2R,3S)-4-(6-amino-2-chloropurin-9-yl)-2,3-dihydroxycyclopentyl]methanesulfonamide

Drug info:

PubChemData

Smile

CCCC1=C(C2=C(C3=C(C4=C(CC3)C(=C5C(=C4O)CC6=C(O5)C(CC(C6O)OC7[C@H]([C@H]([C@@H]([C@H](O7)C)O)O)O)O)OC)C(=C2CN1C)O)O)Br

DOS

IR

Vibrations