Geometry & MOs

Info

ID:

214577

PubChem CID:

85083222

Reduced:

NCl2O12C21H23 (1)

Stoich.:

AB2C12D21E23 (1)

Weight, g/mol:

552.16722

ΔHf, kcal/mol:

-445.01

Dipole, Da:

9.33

IP(EA), eV:

 -10.19(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[[1,2-bis(2,6-difluoro-3-methoxyphenyl)-2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(C(O1)OC2=C(C=C(C=C2)[N+](=O)[O-])C(Cl)Cl)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations