Geometry & MOs

Info

ID:

190255

PubChem CID:

77977762

Reduced:

N3O7C30H39 (1)

Stoich.:

A3B7C30D39 (1)

Weight, g/mol:

546.255045

ΔHf, kcal/mol:

-290.07

Dipole, Da:

3.94

IP(EA), eV:

 -9.08(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2-oxopyrrolidin-3-yl) 4-[[6-amino-9-[[1-(cyclopropylamino)-3,4-dihydroxy-1-oxobutan-2-yl]oxymethyl]purin-2-yl]methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C(C(=O)O)N(C1CC2=CC=CC=C2C1)C(=O)C(CCCCNC(=O)OCC3=CC=CC=C3)N

DOS

IR

Vibrations