Geometry & MOs

Info

ID:	247913
PubChem CID:	103077470
Reduced:	BrClFSN3O3C11H12 (1)
Stoich.:	ABCDE3F3G11H12 (1)
Weight, g/mol:	398.98192
ΔH_f, kcal/mol:	-136.92
Dipole, Da:	6.69
IP(EA), eV:	-9.5(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonyl-N,N-dimethylpyrrolidin-3-amine

Drug info:

PubChemData

Smile

C1CN(CCNC1=O)S(=O)(=O)C2=CC(=C(C(=C2F)N)Br)Cl

DOS

IR

Vibrations