Geometry & MOs

Info

ID:	59004
PubChem CID:	24770212
Reduced:	SF2N3O4C32H41 (1)
Stoich.:	AB2C3D4E32F41 (1)
Weight, g/mol:	192.11503
ΔH_f, kcal/mol:	-214.0
Dipole, Da:	6.15
IP(EA), eV:	-8.83(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethoxy-3-methoxy-2-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)C5CCCCC5)C6=CC(=CC=C6)F)F

DOS

IR

Vibrations