Geometry & MOs

Info

ID:	449420
PubChem CID:	135298451
Reduced:	SO2F4N6H18C29 (1)
Stoich.:	AB2C4D6E18F29 (1)
Weight, g/mol:	407.193174
ΔH_f, kcal/mol:	0.23
Dipole, Da:	6.93
IP(EA), eV:	-9.37(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-bis[(3,5-dimethylphenyl)phosphanyl]-2-ethyl-6-methylaniline

Drug info:

PubChemData

Smile

C1=CC(=CC=C1COC2=CC=C(S2)C#N)C#CC3=CN=C(C=C3)C(C(CN4C=NN=N4)(C5=C(C=C(C=C5)F)F)O)(F)F

DOS

IR

Vibrations