Geometry & MOs

Info

ID:	247951
PubChem CID:	103077712
Reduced:	BrClFSN2O2C12H15 (1)
Stoich.:	ABCDE2F2G12H15 (1)
Weight, g/mol:	415.94309
ΔH_f, kcal/mol:	-111.82
Dipole, Da:	4.41
IP(EA), eV:	-9.26(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-3-chloro-5-(2,2-dimethylthiomorpholin-4-yl)sulfonyl-6-fluoroaniline

Drug info:

PubChemData

Smile

CC(C1CCC1)NS(=O)(=O)C2=CC(=C(C(=C2F)N)Br)Cl

DOS

IR

Vibrations