Geometry & MOs

Info

ID:

164202

PubChem CID:

74382279

Reduced:

FN5O5C29H39 (2)

Stoich.:

AB5C5D29E39 (2)

Weight, g/mol:

338.133868

ΔHf, kcal/mol:

-532.17

Dipole, Da:

8.47

IP(EA), eV:

 -9.31(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(5-amino-7-methyl-2,6,7,9,11-pentazatricyclo[6.3.1.04,12]dodeca-1(12),3,5,8,10-pentaen-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol;hydrate

Drug info:

PubChemData

Smile

CC(C(=O)NC(C(=O)N1CC(CC1C(=O)N(CCC2=CC=C(C=C2)F)C(=O)C)NC(=O)C3=CC=C(C=C3)C(=O)NC4CC(N(C4)C(=O)C(C(C)(C)C)NC(=O)C(C)NC)C(=O)N(CCC5=CC=C(C=C5)F)C(=O)C)C(C)(C)C)NC

DOS

IR

Vibrations