Geometry & MOs

Info

ID:	376078
PubChem CID:	134222080
Reduced:	ClSN2F3C20H20 (1)
Stoich.:	ABC2D3E20F20 (1)
Weight, g/mol:	419.112458
ΔH_f, kcal/mol:	-114.16
Dipole, Da:	4.89
IP(EA), eV:	-8.07(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[4-[(E)-3-(3-chloro-5-methylphenyl)-4,4,4-trifluorobut-1-enyl]-2-cyanophenyl]-N-(diaminomethylidene)methanimidamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)Cl)C(/C=C/C2=CC=C(C=C2)N/C(=C/N)/SC)C(F)(F)F

DOS

IR

Vibrations