Geometry & MOs

Info

ID:

181981

PubChem CID:

76822585

Reduced:

FN4O4C37H39 (1)

Stoich.:

AB4C4D37E39 (1)

Weight, g/mol:

528.010311

ΔHf, kcal/mol:

-129.49

Dipole, Da:

7.46

IP(EA), eV:

 -8.55(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,5-dichloro-6-N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-N-[[6-(trifluoromethoxy)pyridin-3-yl]methylideneamino]pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=NC=C(N(C1=O)CC2=CC(=CC(=C2)N3CCCC3)C(=O)C4=CC=C(C=C4)F)C5=C(C=CC(=C5)C(=O)CC)C

DOS

IR

Vibrations