Geometry & MOs

Info

ID:

449204

PubChem CID:

135296827

Reduced:

ClON3C13H13 (2)

Stoich.:

ABC3D13E13 (2)

Weight, g/mol:

428.194737

ΔHf, kcal/mol:

22.3

Dipole, Da:

4.66

IP(EA), eV:

 -9.59(-1.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6R)-9-(3-hydroxypropoxy)-10-(methoxymethyl)-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

CC(C)CCNC(=O)[C@H](CC1=CC=CC=C1)N2C=NC(=CC2=O)C3=C(C=CC(=C3)Cl)N4C=C(N=N4)Cl

DOS

IR

Vibrations