Geometry & MOs

Info

ID:	179207
PubChem CID:	76451058
Reduced:	NSiO5C28H51 (1)
Stoich.:	ABC5D28E51 (1)
Weight, g/mol:	803.165359
ΔH_f, kcal/mol:	-332.77
Dipole, Da:	6.64
IP(EA), eV:	-8.68(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

nickel(2+);2-(5,10,15,20-tetraphenylporphyrin-24-id-2-ylidene)-1,3-benzothiazol-3-ide

Drug info:

PubChemData

Smile

CCC(C)CC1=C(C(=C(C=C1)CC(CCO[Si](C)(C)C(C)(C)C)O)C(=O)NC(C)(C)C)OCOC

DOS

IR

Vibrations