Geometry & MOs

Info

ID:	163199
PubChem CID:	57654742
Reduced:	OF2C27H36 (1)
Stoich.:	AB2C27D36 (1)
Weight, g/mol:	874.463096
ΔH_f, kcal/mol:	-150.18
Dipole, Da:	2.44
IP(EA), eV:	-8.94(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-pentylcyclohexyl) 4-[1-hydroxy-4-[4-[4-(4-octylcyclohexyl)phenyl]phenyl]sulfanyl-9,10-dioxoanthracen-2-yl]benzoate

Drug info:

PubChemData

Smile

CCCCCC1=CC=C(C=C1)CCC2CCC(CC2)COC3=C(C=C(C=C3F)C)F

DOS

IR

Vibrations