Geometry & MOs

Info

ID:

334899

PubChem CID:

127253705

Reduced:

ClNO7C20H24 (1)

Stoich.:

ABC7D20E24 (1)

Weight, g/mol:

539.201613

ΔHf, kcal/mol:

-257.93

Dipole, Da:

3.91

IP(EA), eV:

 -8.82(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NCCOCCO

DOS

IR

Vibrations