Geometry & MOs

Info

ID:

185806

PubChem CID:

77350791

Reduced:

NO2C20H33 (2)

Stoich.:

AB2C20D33 (2)

Weight, g/mol:

508.166808

ΔHf, kcal/mol:

-258.34

Dipole, Da:

3.54

IP(EA), eV:

 -8.26(0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4-methoxyphenyl)methyl 3-(4-hydroxybut-2-enyl)-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CCC1C(COC1=O)CC2=CN=CN2C.CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C

DOS

IR

Vibrations