Geometry & MOs

Info

ID:	46219
PubChem CID:	10523319
Reduced:	SO2F3C19H23 (1)
Stoich.:	AB2C3D19E23 (1)
Weight, g/mol:	372.23006
ΔH_f, kcal/mol:	-187.63
Dipole, Da:	5.85
IP(EA), eV:	-10.18(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-hydroxy-2-methyl-3,4-dihydrochromene-6-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCC#C/C(=C(/C)\S(=O)(=O)C1=CC=CC=C1)/C(F)(F)F

DOS

IR

Vibrations