Geometry & MOs

Info

ID:	405704
PubChem CID:	135075140
Reduced:	FNSO2H18C20 (1)
Stoich.:	ABCD2E18F20 (1)
Weight, g/mol:	205.95547
ΔH_f, kcal/mol:	-71.2
Dipole, Da:	6.97
IP(EA), eV:	-8.93(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

lithium;3-bromobenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)C)C3=CC(=CC=C3)F

DOS

IR

Vibrations