Geometry & MOs

Info

ID:	328166
PubChem CID:	126692851
Reduced:	SF3N6C24H27 (1)
Stoich.:	AB3C6D24E27 (1)
Weight, g/mol:	216.001178
ΔH_f, kcal/mol:	-72.64
Dipole, Da:	6.99
IP(EA), eV:	-8.39(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E,3Z,5Z,7Z)-5-methylcycloocta-1,3,5,7-tetraene-1-sulfonyl chloride

Drug info:

PubChemData

Smile

CC1=NSC(=C1)N2C[C@H]3[C@@H](CCC3C2)NC4=NN5CCCC(C5=N4)C6=CC(=CC=C6)C(F)(F)F

DOS

IR

Vibrations