Geometry & MOs

Info

ID:

227299

PubChem CID:

87561134

Reduced:

ClLiS2O6H17C26 (1)

Stoich.:

ABC2D6E17F26 (1)

Weight, g/mol:

737.319141

ΔHf, kcal/mol:

-175.27

Dipole, Da:

6.39

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.197324

Charge, e:

 0

Chem-info

IUPAC name:

(1S,4R,6S,7Z,14S,18R)-18-(3-chloro-7-methoxyquinoxalin-2-yl)oxy-2,15-dioxo-14-[[(1R,2R)-2-pent-4-enylcyclopentyl]oxycarbonylamino]-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid

Drug info:

PubChemData

Smile

[Li].C1=CC=C2C3=C(C(C2=C1)C4C5=CC=CC=C5C6=C4C(=C(C=C6)Cl)S(=O)(=O)O)C(=CC=C3)S(=O)(=O)O

DOS

IR

Vibrations