Geometry & MOs

Info

ID:	155886
PubChem CID:	56368126
Reduced:	BrClO2N3H17C18 (1)
Stoich.:	ABC2D3E17F18 (1)
Weight, g/mol:	447.05229
ΔH_f, kcal/mol:	-16.36
Dipole, Da:	3.78
IP(EA), eV:	-9.64(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5,6-difluoro-1,3-benzothiazol-2-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)C(CC2=CC=CC=C2)NC(=O)C3=C(N=CC(=C3)Br)Cl

DOS

IR

Vibrations