Geometry & MOs

Info

ID:	54852
PubChem CID:	17389401
Reduced:	FOSBr2Cl2N3H18C25 (1)
Stoich.:	ABCD2E2F3G18H25 (1)
Weight, g/mol:	411.02662
ΔH_f, kcal/mol:	27.46
Dipole, Da:	3.39
IP(EA), eV:	-8.67(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N'-phenyl-N-[(Z)-1-phenylethylideneamino]carbamimidothioate;hydroiodide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=NN(C(C2)C3=C(C=C(C=C3)Cl)Cl)C4=NC(=CS4)C5=CC=C(C=C5)Br)F.Br

DOS

IR

Vibrations