Geometry & MOs

Info

ID:

334054

PubChem CID:

127252606

Reduced:

N2O6H18C25 (1)

Stoich.:

A2B6C18D25 (1)

Weight, g/mol:

509.191048

ΔHf, kcal/mol:

-109.36

Dipole, Da:

6.68

IP(EA), eV:

 -8.3(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5S)-3-[(4-methoxyphenyl)methyl]-5-[3-[(1S,9R)-5-nitro-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-3-oxopropyl]imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)NC(=O)C5=CC=CC=C5O)OC

DOS

IR

Vibrations