Geometry & MOs

Info

ID:

180297

PubChem CID:

76610537

Reduced:

O2N5C26H31 (1)

Stoich.:

A2B5C26D31 (1)

Weight, g/mol:

1435.520244

ΔHf, kcal/mol:

-37.92

Dipole, Da:

5.61

IP(EA), eV:

 -8.45(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9H-fluoren-9-ylmethyl 5-[[4-[[9-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[[5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)-3-(4-oxopentanoyloxy)oxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]purin-6-yl]carbamoyl]phenyl]methylamino]-5-oxopentanoate

Drug info:

PubChemData

Smile

C1CCCC(CC1)NC(=O)C2=CC=C(C=C2)NC3=CC=C(N4C3=NC=C4)C5CCNC(=O)C5

DOS

IR

Vibrations