Geometry & MOs

Info

ID:	426091
PubChem CID:	135137141
Reduced:	ClOF5N8H18C24 (1)
Stoich.:	ABC5D8E18F24 (1)
Weight, g/mol:	268.222472
ΔH_f, kcal/mol:	-108.42
Dipole, Da:	6.34
IP(EA), eV:	-8.64(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-4-(2-ethylsulfanyl-2-methylpropyl)hepta-2,5-diene

Drug info:

PubChemData

Smile

C/C=N\N(C1=C(C=C(C=N1)NC(=O)C2=C(N(N=C2)C3=CN=C(C4=CC=CC=C43)C(C)(F)F)C(F)(F)F)Cl)N=C

DOS

IR

Vibrations