Geometry & MOs

Info

ID:

445510

PubChem CID:

135267504

Reduced:

ClO2F6N7H34C37 (1)

Stoich.:

AB2C6D7E34F37 (1)

Weight, g/mol:

611.228454

ΔHf, kcal/mol:

-211.94

Dipole, Da:

2.9

IP(EA), eV:

 -8.21(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-[5-fluoro-4-(heptan-4-ylcarbamoyl)-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]-N-dimethylphosphonamidous acid

Drug info:

PubChemData

Smile

CC1CC(C2=C1C(=NN2CC(=O)NC(CC3=CC(=CC(=C3)F)F)C4=C(C=CC(=N4)C#CC(C)(C)O)C5=C6C(=C(C=C5)Cl)C(=NN6C)NC)C(F)F)(F)F

DOS

IR

Vibrations