Geometry & MOs

Info

ID:

54

PubChem CID:

2026

Reduced:

O3N4C14H16 (2)

Stoich.:

A3B4C14D16 (2)

Weight, g/mol:

576.244481

ΔHf, kcal/mol:

-153.46

Dipole, Da:

7.98

IP(EA), eV:

 -8.93(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-aminoethyl)-2-[4-[[2-[4-[[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]phenyl]acetyl]amino]phenyl]acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(=O)NC2=CC=C(C=C2)CC(=O)NCCN)NC3=C4C(=NC=N3)N(C=N4)C5C(C(C(O5)CO)O)O

DOS

IR

Vibrations