Geometry & MOs

Info

ID:

334743

PubChem CID:

127253418

Reduced:

O11H24C29 (1)

Stoich.:

A11B24C29 (1)

Weight, g/mol:

479.180484

ΔHf, kcal/mol:

-338.02

Dipole, Da:

3.49

IP(EA), eV:

 -8.27(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C2=C(C3=C(O2)C=C(C4=C3OC(=C(C4=O)O)C5=CC(=C(C=C5)O)O)O)CC(=O)OC)OC

DOS

IR

Vibrations