Geometry & MOs

Info

ID:	392870
PubChem CID:	135018276
Reduced:	ON2C20H28 (1)
Stoich.:	AB2C20D28 (1)
Weight, g/mol:	544.246973
ΔH_f, kcal/mol:	-24.03
Dipole, Da:	4.07
IP(EA), eV:	-8.36(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,8,17,18-tetrabutyl-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,7,9,14,17,19-octaene-2,12-dione

Drug info:

PubChemData

Smile

CCCCCC1=C(N(C2=CC=CC=C21)C(=O)N(CC)CC)C=C

DOS

IR

Vibrations