Geometry & MOs

Info

ID:	393456
PubChem CID:	135020629
Reduced:	O2C13H18 (1)
Stoich.:	A2B13C18 (1)
Weight, g/mol:	334.160266
ΔH_f, kcal/mol:	-84.83
Dipole, Da:	1.33
IP(EA), eV:	-9.92(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (E)-3-(4-hydroxy-2,2,4-trimethyl-3H-thiochromen-6-yl)prop-2-enoate

Drug info:

PubChemData

Smile

C[C@@]12CC(=O)C([C@@]1(CC(=O)C=C2)C)(C)C

DOS

IR

Vibrations