Geometry & MOs

Info

ID:	247903
PubChem CID:	103077383
Reduced:	BrClFSN2O3C12H17 (1)
Stoich.:	ABCDE2F3G12H17 (1)
Weight, g/mol:	412.90704
ΔH_f, kcal/mol:	-158.24
Dipole, Da:	3.58
IP(EA), eV:	-9.17(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-bromo-5-chloro-2-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCCCOCCNS(=O)(=O)C1=CC(=C(C(=C1F)N)Br)Cl

DOS

IR

Vibrations