Geometry & MOs

Info

ID:

224156

PubChem CID:

85338867

Reduced:

N5O6C17H28 (2)

Stoich.:

A5B6C17D28 (2)

Weight, g/mol:

810.507755

ΔHf, kcal/mol:

-575.62

Dipole, Da:

9.09

IP(EA), eV:

 -9.56(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-4-[[5-(6-aminopurin-9-yl)-3-hydroxy-4-[[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]oxolan-2-yl]methyl-methylsulfonio]butanoate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(CO)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(CC1=CN=CN1)NC(=O)C(C(C)C)N

DOS

IR

Vibrations