Geometry & MOs

Info

ID:	43158
PubChem CID:	10318955
Reduced:	SiO2C26H30 (1)
Stoich.:	AB2C26D30 (1)
Weight, g/mol:	402.147593
ΔH_f, kcal/mol:	-56.74
Dipole, Da:	2.06
IP(EA), eV:	-9.23(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methylsulfanyl-4-[(1E,3E,5E,7E,9E,11E)-12-(4-methylsulfanylphenyl)dodeca-1,3,5,7,9,11-hexaenyl]benzene

Drug info:

PubChemData

Smile

C[C@@H]([C@H](C(C)C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC

DOS

IR

Vibrations