Geometry & MOs

Info

ID:	226245
PubChem CID:	87350219
Reduced:	SF2N5O6C22H29 (1)
Stoich.:	AB2C5D6E22F29 (1)
Weight, g/mol:	367.34503
ΔH_f, kcal/mol:	-277.66
Dipole, Da:	8.56
IP(EA), eV:	-8.35(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(dimethylamino)-2-[(9E,12E)-octadeca-9,12-dienoxy]propan-1-ol

Drug info:

PubChemData

Smile

CC(C)OC(=O)N1CCC(CC1)ON=C2CCN(CC2)C3=C(C=C(C(=C3)F)C(=S(=O)=O)NC(=O)N)F

DOS

IR

Vibrations