Geometry & MOs

Info

ID:

13965

PubChem CID:

400984

Reduced:

Cl2N2O3H10C18 (2)

Stoich.:

A2B2C3D10E18 (2)

Weight, g/mol:

746.010745

ΔHf, kcal/mol:

-51.38

Dipole, Da:

5.97

IP(EA), eV:

 -8.07(-1.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-chloro-1-[6,13-dichloro-3-[3-chloro-2-(2-hydroxyphenyl)-4-oxoazetidin-1-yl]-[1,4]benzoxazino[2,3-b]phenoxazin-10-yl]-4-(2-hydroxyphenyl)azetidin-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2C(C(=O)N2C3=CC4=C(C=C3)N=C5C(=C(C6=NC7=C(C=C(C=C7)N8C(C(C8=O)Cl)C9=CC=CC=C9O)OC6=C5Cl)Cl)O4)Cl)O

DOS

IR

Vibrations