Geometry & MOs

Info

ID:

16592

PubChem CID:

473394

Reduced:

PO8N10C44H59 (1)

Stoich.:

AB8C10D44E59 (1)

Weight, g/mol:

886.425496

ΔHf, kcal/mol:

-294.05

Dipole, Da:

5.71

IP(EA), eV:

 -8.82(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(6-aminopurin-9-yl)ethoxymethylphosphonic acid;(2S)-1-[(2S,4S)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@H](C[C@H](CC2=CC=CC=C2)C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)O)CC5=CN=CC=C5.C1=NC(=C2C(=N1)N(C=N2)CCOCP(=O)(O)O)N

DOS

IR

Vibrations