Geometry & MOs

Info

ID:	147304
PubChem CID:	53786959
Reduced:	N2F3O6C33H35 (1)
Stoich.:	A2B3C6D33E35 (1)
Weight, g/mol:	700.619203
ΔH_f, kcal/mol:	-338.13
Dipole, Da:	6.48
IP(EA), eV:	-8.9(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dioctadecoxyprop-2-enylsulfanylmethylbenzene

Drug info:

PubChemData

Smile

CCCOC1=CC(=C(C=C1)[C@H]2C([C@H](CN2CC(=O)NC3=C(C=C(C=C3CC)F)CC)C4=CC5=C(C=C4F)OCO5)C(=O)O)F

DOS

IR

Vibrations