Geometry & MOs

Info

ID:	190970
PubChem CID:	78088167
Reduced:	NF3O4H13C14 (2)
Stoich.:	AB3C4D13E14 (2)
Weight, g/mol:	298.269422
ΔH_f, kcal/mol:	-576.55
Dipole, Da:	6.2
IP(EA), eV:	-9.75(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2-tert-butylsulfanylethenyl)tridecane

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(C(O1)OC(=NC2=CC=CC=C2)C(F)(F)F)N=CC3=CC=CC=C3C(F)(F)F)OC(=O)C)OC(=O)C

DOS

IR

Vibrations