Geometry & MOs

Info

ID:	158109
PubChem CID:	56462995
Reduced:	BrOSF2N3H12C15 (1)
Stoich.:	ABCD2E3F12G15 (1)
Weight, g/mol:	395.062541
ΔH_f, kcal/mol:	-54.0
Dipole, Da:	3.21
IP(EA), eV:	-9.63(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[3-(1,3-dithiolan-2-yl)phenyl]-4,4,4-trifluoro-3-phenylbut-2-enamide

Drug info:

PubChemData

Smile

CN(CC1=CC=C(S1)Br)C(=O)C2=CC3=C(C=C2)N=C(N3)C(F)F

DOS

IR

Vibrations