Geometry & MOs

Info

ID:	247914
PubChem CID:	103077471
Reduced:	BrClFSO2N3C12H16 (1)
Stoich.:	ABCDE2F3G12H16 (1)
Weight, g/mol:	383.97102
ΔH_f, kcal/mol:	-102.84
Dipole, Da:	2.2
IP(EA), eV:	-8.95(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-3-chloro-5-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-6-fluoroaniline

Drug info:

PubChemData

Smile

CN(C)C1CCN(C1)S(=O)(=O)C2=CC(=C(C(=C2F)N)Br)Cl

DOS

IR

Vibrations