Geometry & MOs

Info

ID:

433728

PubChem CID:

135173868

Reduced:

N4O5C26H34 (1)

Stoich.:

A4B5C26D34 (1)

Weight, g/mol:

677.273715

ΔHf, kcal/mol:

-146.2

Dipole, Da:

2.3

IP(EA), eV:

 -8.31(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-O-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl) 1-O-[2-(4-tritylpiperazine-1-carbonyl)oxyethyl] butanedioate

Drug info:

PubChemData

Smile

CC1=NOC(=C1)[C@H](C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@H](C)C3=CC=C(C=C3)C4=CNCO4)O)C(C)(C)C

DOS

IR

Vibrations