Geometry & MOs

Info

ID:	435863
PubChem CID:	135192603
Reduced:	SO5C28H38 (1)
Stoich.:	AB5C28D38 (1)
Weight, g/mol:	539.37633
ΔH_f, kcal/mol:	-181.0
Dipole, Da:	8.53
IP(EA), eV:	-9.51(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[[(5E,9Z)-4-(1-amino-4,4-dimethylpentan-2-yl)-7,8-dihydrobenzo[8]annulen-6-yl]oxy]-2,5-dimethylhexan-3-yl]naphthalen-1-ol

Drug info:

PubChemData

Smile

CC(C)(C)/C(=C/C#C)/C=C\CC(=O)OC1=CC(=C(C(C1)C2CCCC2)S(=O)(=O)O)C3CCCC3

DOS

IR

Vibrations