Geometry & MOs

Info

ID:	445495
PubChem CID:	135267384
Reduced:	ClSO4F7N7H33C36 (1)
Stoich.:	ABC4D7E7F33G36 (1)
Weight, g/mol:	198.16198
ΔH_f, kcal/mol:	-364.17
Dipole, Da:	6.93
IP(EA), eV:	-8.45(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(Z)-2,6-dimethylhept-1-enyl]-1,3-dioxolane

Drug info:

PubChemData

Smile

CC(CF)(C#CC1=NC(=C(C=C1)C2=C3C(=C(C=C2)Cl)C(=NN3C)NS(=O)(=O)C)[C@H](CC4=CC(=CC(=C4)F)F)NC(=O)CN=C5/C(=C(/C(F)F)\N)/CCC5(F)F)O

DOS

IR

Vibrations