Geometry & MOs

Info

ID:	247920
PubChem CID:	103077512
Reduced:	BrClFSN2O2C13H17 (1)
Stoich.:	ABCDE2F2G13H17 (1)
Weight, g/mol:	398.94553
ΔH_f, kcal/mol:	-124.03
Dipole, Da:	5.27
IP(EA), eV:	-9.28(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-bromo-5-chloro-2-fluoro-N-[(5-oxopyrrolidin-2-yl)methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1(CCCN(C1)S(=O)(=O)C2=CC(=C(C(=C2F)N)Br)Cl)C

DOS

IR

Vibrations