Geometry & MOs

Info

ID:	247926
PubChem CID:	103077574
Reduced:	BrClFSN2O2C13H17 (1)
Stoich.:	ABCDE2F2G13H17 (1)
Weight, g/mol:	411.91179
ΔH_f, kcal/mol:	-109.63
Dipole, Da:	6.06
IP(EA), eV:	-9.19(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations