Geometry & MOs

Info

ID:	128373
PubChem CID:	51041839
Reduced:	ClOF2N6H23C27 (1)
Stoich.:	ABC2D6E23F27 (1)
Weight, g/mol:	371.228286
ΔH_f, kcal/mol:	19.77
Dipole, Da:	5.28
IP(EA), eV:	-9.09(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z,8Z,11Z,14Z)-1-(1,3-thiazol-2-yl)icosa-5,8,11,14-tetraen-1-one

Drug info:

PubChemData

Smile

C1CC(CC1COC2=CC=CC=C2C3=NC4=CC(=C(C=C4N3CC5=CC=C(C=C5)C6=NNN=N6)F)F)Cl

DOS

IR

Vibrations