Geometry & MOs

Info

ID:	376214
PubChem CID:	134222224
Reduced:	NSF3Cl4H20C22 (1)
Stoich.:	ABC3D4E20F22 (1)
Weight, g/mol:	362.160598
ΔH_f, kcal/mol:	-146.25
Dipole, Da:	4.83
IP(EA), eV:	-8.5(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-[4-[[(E)-2-aminoethenyl]amino]phenyl]-2-(3,5-dimethylphenyl)-1,1,1-trifluorobut-3-en-2-ol

Drug info:

PubChemData

Smile

CCCCC(=S)NCC1=C(C=C(C=C1)/C=C/C(C2=CC(=C(C(=C2)Cl)Cl)Cl)C(F)(F)F)Cl

DOS

IR

Vibrations