Geometry & MOs

Info

ID:

449202

PubChem CID:

135296791

Reduced:

N5O6C28H29 (1)

Stoich.:

A5B6C28D29 (1)

Weight, g/mol:

418.129549

ΔHf, kcal/mol:

-133.65

Dipole, Da:

16.33

IP(EA), eV:

 -9.3(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,6S)-10-chloro-9-(3-methoxypropoxy)-3-methyl-15-oxo-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[C@H]2N1N3C=C(C(=O)C=C3C4=C2C=C(C(=C4)COC)OCCN5C(=O)N6C=CC=CC6=N5)C(=O)O)C

DOS

IR

Vibrations