Geometry & MOs

Info

ID:	401305
PubChem CID:	135050878
Reduced:	O3N4F5H15C16 (1)
Stoich.:	A3B4C5D15E16 (1)
Weight, g/mol:	238.989713
ΔH_f, kcal/mol:	-289.99
Dipole, Da:	6.88
IP(EA), eV:	-10.93(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-methylsulfanyl-4-phenyl-1,3-dithiol-2-imine

Drug info:

PubChemData

Smile

CC(C)CC1=C(C(=NC(=C1C(=O)N2N=CC=N2)C(F)(F)F)C(F)F)C(=O)OC

DOS

IR

Vibrations