Geometry & MOs

Info

ID:	58985
PubChem CID:	24770148
Reduced:	SF2N3O5C28H33 (1)
Stoich.:	AB2C3D5E28F33 (1)
Weight, g/mol:	234.16198
ΔH_f, kcal/mol:	-251.89
Dipole, Da:	7.64
IP(EA), eV:	-9.46(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-4-(3-methylbutoxy)-1-prop-2-enylbenzene

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2[C@@H](CCC[C@@H]2C3(CC3)OC(=O)N4CCN(CC4)C(=O)C)C5=CC(=CC=C5)F)F

DOS

IR

Vibrations