Geometry & MOs

Info

ID:	230206
PubChem CID:	87570419
Reduced:	FO3N5C19H20 (1)
Stoich.:	AB3C5D19E20 (1)
Weight, g/mol:	1180.831505
ΔH_f, kcal/mol:	-35.86
Dipole, Da:	5.49
IP(EA), eV:	-9.08(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-bis[4-[2-(3,4-didodecoxyphenyl)ethynyl]phenyl]ethene-1,2-dithiol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C1=CC=C(C=C1)OC2=C3C(=NC=C2)N=C(C=N3)NC)F

DOS

IR

Vibrations