Geometry & MOs

Info

ID:	226383
PubChem CID:	87351572
Reduced:	SCl2F2N3O3H11C18 (1)
Stoich.:	AB2C2D3E3F11G18 (1)
Weight, g/mol:	740.94253
ΔH_f, kcal/mol:	-122.78
Dipole, Da:	4.95
IP(EA), eV:	-9.31(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dimethylphenyl)-N,N-diiodomethanamine;(2-methyl-5-phenyl-1H-1,2,4-triazol-3-ylidene)platinum

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)NS(=O)(=O)C2=C(C=CC(=C2)F)F)Cl)C(=O)/C=C/3\C=CN=C(N3)Cl

DOS

IR

Vibrations