Geometry & MOs

Info

ID:	425541
PubChem CID:	135126661
Reduced:	SO5N9C36H43 (1)
Stoich.:	AB5C9D36E43 (1)
Weight, g/mol:	160.106357
ΔH_f, kcal/mol:	-43.34
Dipole, Da:	11.19
IP(EA), eV:	-9.26(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4E)-2,4-difluoro-7-methylocta-2,4-diene

Drug info:

PubChemData

Smile

CC[C@H]1CC2=CC=CC=C2S(=O)(=O)N(C1)CC3=C(C=CC(=C3)[C@@H](C4=C(C5=C(C=C4)N(N=N5)CC)C)C(C)(C)C(=O)NC6=NN=NN6CC(=O)O)C

DOS

IR

Vibrations