Geometry & MOs

Info

ID:	224715
PubChem CID:	85347367
Reduced:	NH16C18 (2)
Stoich.:	AB16C18 (2)
Weight, g/mol:	504.218175
ΔH_f, kcal/mol:	294.52
Dipole, Da:	6.41
IP(EA), eV:	-8.06(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(benzenesulfonyl)-7-hydroxy-10-[(4-methoxyphenyl)methoxy]-2,2-dimethylundecane-3,9-dione

Drug info:

PubChemData

Smile

C=CC1=CC2=C(C=C1)N3CCCCN4C5=C(C=C(C=C5)C=C)C6=C4C=CC(=C6)C7CCC7C8=CC2=C3C=C8

DOS

IR

Vibrations