Geometry & MOs

Info

ID:	230400
PubChem CID:	87570796
Reduced:	ClSO2N4C27H37 (1)
Stoich.:	ABC2D4E27F37 (1)
Weight, g/mol:	2428.664306
ΔH_f, kcal/mol:	-49.33
Dipole, Da:	4.67
IP(EA), eV:	-8.88(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-bis[4-[2-(3,4-didodecoxyphenyl)ethenyl]phenyl]ethene-1,2-dithiol;nickel

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1C(=O)NCC[C@@H](C)N2CCC(CC2)NC(C3=CSC=C3)C(=O)CC4CC4)C)Cl

DOS

IR

Vibrations