Geometry & MOs

Info

ID:	217816
PubChem CID:	85088428
Reduced:	IS2N4H11C12 (1)
Stoich.:	AB2C4D11E12 (1)
Weight, g/mol:	402.065476
ΔH_f, kcal/mol:	106.18
Dipole, Da:	3.53
IP(EA), eV:	-8.73(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1,1,2,7,8,8,8-octafluoro-6-phenylocta-2,6-dien-4-yn-3-yl)benzene

Drug info:

PubChemData

Smile

CC1=NN=C2N1C3=C(C=C(S3)I)C(=S)N4C2CCC4

DOS

IR

Vibrations