Geometry & MOs

Info

ID:

449199

PubChem CID:

135296763

Reduced:

FON7H28C31 (1)

Stoich.:

ABC7D28E31 (1)

Weight, g/mol:

490.210387

ΔHf, kcal/mol:

111.34

Dipole, Da:

11.01

IP(EA), eV:

 -8.69(-2.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6R)-10-methoxy-3,3-dimethyl-15-oxo-9-(3-phenoxypropoxy)-1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)C2=CN=CC3=N/C(=C\4/C5=C(NN4)N=CC(=C5)C6=CC(=CN=C6)OCCN7CCCC7)/C=C23

DOS

IR

Vibrations