Geometry & MOs

Info

ID:	32361
PubChem CID:	6436715
Reduced:	SN3H19C26 (1)
Stoich.:	AB3C19D26 (1)
Weight, g/mol:	542.485152
ΔH_f, kcal/mol:	171.13
Dipole, Da:	8.16
IP(EA), eV:	-8.22(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E,10E,12E,14E,16E,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene

Drug info:

PubChemData

Smile

CCN1/C(=C\C=C/C(=C(C#N)C#N)C2=CC=CC=C2)/SC3=C1C4=CC=CC=C4C=C3

DOS

IR

Vibrations