Geometry & MOs

Info

ID:	54205
PubChem CID:	15047362
Reduced:	INC13H14 (1)
Stoich.:	ABC13D14 (1)
Weight, g/mol:	972.252789
ΔH_f, kcal/mol:	85.93
Dipole, Da:	26.1
IP(EA), eV:	-6.06(-3.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[2-[2-[2-[4-[2-[2-[2-(4-tritylphenoxy)ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]-6,7-dihydro-5H-[1,3]dithiolo[4,5-b][1,4]dithiepine-2-thione

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)[N+]2=CC=CC=C2.[I-]

DOS

IR

Vibrations