Geometry & MOs

Info

ID:	412539
PubChem CID:	135085435
Reduced:	PO2Si2C70H101 (1)
Stoich.:	AB2C2D70E101 (1)
Weight, g/mol:	658.196471
ΔH_f, kcal/mol:	-238.19
Dipole, Da:	3.04
IP(EA), eV:	-8.42(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzylidene(dichloro)ruthenium;dicyclohexylphosphane

Drug info:

Smile

CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C3CP(=O)(CC4=C(C=C5C=C(C=CC5=C4C3=C6C=CC(=CC6=C2)[Si](C(C)C)(C(C)C)C(C)C)[Si](C(C)C)(C(C)C)C(C)C)C7=C(C=C(C=C7C(C)C)C(C)C)C(C)C)O)C(C)C

DOS

IR

Vibrations