Geometry & MOs

Info

ID:

443076

PubChem CID:

135257620

Reduced:

SO3N4F6H28C30 (1)

Stoich.:

AB3C4D6E28F30 (1)

Weight, g/mol:

663.287275

ΔHf, kcal/mol:

-288.44

Dipole, Da:

6.95

IP(EA), eV:

 -9.28(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4-cyclohexylphenyl)methyl]-2,2,2-trifluoro-N-[2-fluoro-4-methanimidoyl-3-(tritylamino)phenyl]acetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=CC=C(C=C2)CN(C3=C(C(=C(C=C3)C=N)N)F)C(=O)[C@H]4CCN4S(=O)(=O)C5=C(C(=C(C(=C5F)F)F)F)F

DOS

IR

Vibrations