Geometry & MOs

Info

ID:	149024
PubChem CID:	53788695
Reduced:	FSO3N5H24C26 (1)
Stoich.:	ABC3D5E24F26 (1)
Weight, g/mol:	258.234751
ΔH_f, kcal/mol:	-57.73
Dipole, Da:	1.2
IP(EA), eV:	-9.01(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

nonadeca-3,6,9,12,15-pentaene

Drug info:

PubChemData

Smile

CC1(COC(OC1)C2=NC(=C(N2)C3=NC(=NC=C3)SC)C4=CC=C(C=C4)F)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations