Geometry & MOs

Info

ID:

449211

PubChem CID:

135296876

Reduced:

N2O6C25H32 (1)

Stoich.:

A2B6C25D32 (1)

Weight, g/mol:

442.210387

ΔHf, kcal/mol:

-218.44

Dipole, Da:

16.18

IP(EA), eV:

 -8.87(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6R)-10-(methoxymethyl)-9-(3-methoxypropoxy)-3,3-dimethyl-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)OCCC(C)(C)OC)OC)C(=O)O)C

DOS

IR

Vibrations