Geometry & MOs

Info

ID:	326996
PubChem CID:	126688815
Reduced:	O3F4N5C28H31 (1)
Stoich.:	A3B4C5D28E31 (1)
Weight, g/mol:	168.025643
ΔH_f, kcal/mol:	-244.12
Dipole, Da:	7.1
IP(EA), eV:	-9.14(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-fluorocyclobutyl)methanesulfonic acid

Drug info:

PubChemData

Smile

C1CC1CCC(C2CC=C(C(=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CN)C(F)(F)F)F)N5C(CCC5=O)O

DOS

IR

Vibrations