Geometry & MOs

Info

ID:

449226

PubChem CID:

135296980

Reduced:

F2N2O5H18C19 (1)

Stoich.:

A2B2C5D18E19 (1)

Weight, g/mol:

448.211055

ΔHf, kcal/mol:

-267.09

Dipole, Da:

10.44

IP(EA), eV:

 -9.63(-1.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6R)-10-methoxy-3,3-dimethyl-9-[2-(3-methylimidazol-4-yl)ethyl]-15-oxo-1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7(12),8,10,13,16-pentaene-16-carboxylic acid

Drug info:

PubChemData

Smile

CC1(CC[C@H]2N1N3C=C(C(=O)C=C3C4=CC(=C(C=C24)O)OC(F)F)C(=O)O)C

DOS

IR

Vibrations