Geometry & MOs

Info

ID:

13964

PubChem CID:

400983

Reduced:

ClNOH6C10 (4)

Stoich.:

ABCD6E10 (4)

Weight, g/mol:

766.052216

ΔHf, kcal/mol:

64.59

Dipole, Da:

2.19

IP(EA), eV:

 -8.18(-1.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=CC2C(C(=O)N2C3=CC4=C(C=C3)N=C5C(=C(C6=NC7=C(C=C(C=C7)N8C(C(C8=O)Cl)C=CC9=CC=CC=C9)OC6=C5Cl)Cl)O4)Cl

DOS

IR

Vibrations