Geometry & MOs

Info

ID:	26176
PubChem CID:	640097
Reduced:	SO6H16C22 (1)
Stoich.:	AB6C16D22 (1)
Weight, g/mol:	256.109944
ΔH_f, kcal/mol:	-157.31
Dipole, Da:	9.69
IP(EA), eV:	-8.67(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-7,8-dimethoxy-2-methyl-1,2-dihydrocyclopenta[a]naphthalen-3-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC=C(C=C4)O

DOS

IR

Vibrations