Geometry & MOs

Info

ID:	226869
PubChem CID:	87558708
Reduced:	SiZrCl2H42C48 (1)
Stoich.:	ABC2D42E48 (1)
Weight, g/mol:	220.106791
ΔH_f, kcal/mol:	153.7
Dipole, Da:	10.42
IP(EA), eV:	-6.44(-2.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexyl(dimethyl)azanium;carbamodithioate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=CC=CC3=C2C(=C([CH-]3)C4=CC=CC=C4)[Si](C)(C)C5=C([CH-]C6=C5C(=CC=C6)C7=CC=C(C=C7)CC)C8=CC=CC=C8.[Cl-].[Cl-].[Zr+4]

DOS

IR

Vibrations