Geometry & MOs

Info

ID:	217855
PubChem CID:	85088495
Reduced:	SO4H22C24 (1)
Stoich.:	AB4C22D24 (1)
Weight, g/mol:	406.235539
ΔH_f, kcal/mol:	-68.85
Dipole, Da:	4.51
IP(EA), eV:	-8.43(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[8-[2-(4-hydroxy-6-oxooxan-2-yl)ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 4-hydroxy-2-methylbutanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)C23C4CCC(C2C(=O)C5=C(C3=O)C=CC=C5OC)C=C4

DOS

IR

Vibrations