Geometry & MOs

Info

ID:	247874
PubChem CID:	103077224
Reduced:	BrClFSN2O4C10H11 (1)
Stoich.:	ABCDE2F4G10H11 (1)
Weight, g/mol:	397.98667
ΔH_f, kcal/mol:	-186.89
Dipole, Da:	2.82
IP(EA), eV:	-9.33(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(azocan-1-ylsulfonyl)-2-bromo-3-chloro-6-fluoroaniline

Drug info:

PubChemData

Smile

CN(CC(=O)OC)S(=O)(=O)C1=CC(=C(C(=C1F)N)Br)Cl

DOS

IR

Vibrations