Geometry & MOs

Info

ID:	320255
PubChem CID:	126659026
Reduced:	ClFON5H17C19 (1)
Stoich.:	ABCD5E17F19 (1)
Weight, g/mol:	336.052169
ΔH_f, kcal/mol:	-14.51
Dipole, Da:	7.3
IP(EA), eV:	-9.16(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[4-(2-chloro-4-methylphenyl)-1,3-dithiolan-2-ylidene]-2-[methyl(prop-1-en-2-yl)amino]acetonitrile

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](CN1)NC2=NC=NC3=C2C=CC=C3C(=O)N)C4=C(C=CC=C4Cl)F

DOS

IR

Vibrations