Geometry & MOs

Info

ID:	123154
PubChem CID:	50835501
Reduced:	BrClN2O2S2H14C20 (1)
Stoich.:	ABC2D2E2F14G20 (1)
Weight, g/mol:	485.027076
ΔH_f, kcal/mol:	9.92
Dipole, Da:	4.02
IP(EA), eV:	-8.71(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(S2)C3=C(C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)Br)Cl

DOS

IR

Vibrations