Geometry & MOs

Info

ID:

297353

PubChem CID:

117615773

Reduced:

SO19N22C87H126 (1)

Stoich.:

AB19C22D87E126 (1)

Weight, g/mol:

333.18009

ΔHf, kcal/mol:

-754.53

Dipole, Da:

7.58

IP(EA), eV:

 -8.44(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,4R,5R)-5-[6-(cyclopentylamino)purin-9-yl]-4-methoxyoxolan-2-yl]methanol

Drug info:

PubChemData

Smile

CCCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CSCC(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N3C[C@@H](C[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N1C)CCCC)C)CC4=CNC5=CC=CC=C54)CO)CC6=CNC7=CC=CC=C76)O)CC(C)C)C)CN)C)C)CC8=CC=C(C=C8)O)C(=O)NCC(=O)N)CCCNC(=N)N

DOS

IR

Vibrations