Geometry & MOs

Info

ID:	44356
PubChem CID:	10503061
Reduced:	SO6H20C24 (1)
Stoich.:	AB6C20D24 (1)
Weight, g/mol:	436.203845
ΔH_f, kcal/mol:	-141.87
Dipole, Da:	6.84
IP(EA), eV:	-8.62(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5,6-bis(4-methoxyphenyl)-1,2-dihydroacenaphthylen-3-yl]-2-methylpropan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)C2=CC(=O)C3=C(C4=C([C@@H]5CC[C@]4(C=C5)OC)C(=C3C2=O)O)O

DOS

IR

Vibrations