Geometry & MOs

Info

ID:

147197

PubChem CID:

53786851

Reduced:

NO3C15H23 (2)

Stoich.:

AB3C15D23 (2)

Weight, g/mol:

554.135902

ΔHf, kcal/mol:

-291.28

Dipole, Da:

4.19

IP(EA), eV:

 -10.14(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4-nitrophenyl)methyl (5R,6S)-6-[2-(cyclopropanecarbonyloxy)ethyl]-3-(4-methylsulfinylphenoxy)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

C1CCC(CC1)C(CCCC(=C(CCCC(CCN=C=O)C2CCCCC2)C(=O)O)C(=O)O)CCN=C=O

DOS

IR

Vibrations