Geometry & MOs

Info

ID:	217299
PubChem CID:	85087579
Reduced:	SO7C15H26 (1)
Stoich.:	AB7C15D26 (1)
Weight, g/mol:	350.209324
ΔH_f, kcal/mol:	-326.84
Dipole, Da:	2.68
IP(EA), eV:	-9.75(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-hydroxy-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-6-oxo-3,4,5,8a-tetrahydro-2H-naphthalen-2-yl] 2-methylbut-2-enoate

Drug info:

PubChemData

Smile

CC1(OC(C(O1)COS(=O)(=O)C)CC=CCCCC(=O)OC)C

DOS

IR

Vibrations