Geometry & MOs

Info

ID:	398023
PubChem CID:	135031402
Reduced:	FNOC13H16 (1)
Stoich.:	ABCD13E16 (1)
Weight, g/mol:	957.955406
ΔH_f, kcal/mol:	-55.28
Dipole, Da:	2.52
IP(EA), eV:	-8.96(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[bis(2,2,6,6-tetramethyl-[1,3]dithiolo[4,5-f][1,3]benzodithiol-8-yl)methyl]-2,2,6,6-tetramethyl-[1,3]dithiolo[4,5-f][1,3]benzodithiol-8-yl]sulfanyl]acetic acid

Drug info:

PubChemData

Smile

CN(CCO)CC1=C(CC2=CC=CC=C21)F

DOS

IR

Vibrations