Geometry & MOs

Info

ID:	232999
PubChem CID:	87577918
Reduced:	S2O4F14H18C31 (1)
Stoich.:	A2B4C14D18E31 (1)
Weight, g/mol:	257.025499
ΔH_f, kcal/mol:	-788.26
Dipole, Da:	2.15
IP(EA), eV:	-10.14(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-chlorobenzoyl)-fluoroamino]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

C=C(C1=C(C=CC(=C1)F)C(F)(F)F)S(=O)(=O)C2=CC=C(C=C2)C(F)(F)F.C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)CC2=C(C=CC(=C2)F)C(F)(F)F

DOS

IR

Vibrations