Geometry & MOs

Info

ID:	81128
PubChem CID:	49854381
Reduced:	BrSN3O5C25H26 (1)
Stoich.:	ABC3D5E25F26 (1)
Weight, g/mol:	572.09549
ΔH_f, kcal/mol:	-114.2
Dipole, Da:	3.97
IP(EA), eV:	-8.88(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-methoxy-N-[4-[4-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)piperazine-1-carbonyl]phenyl]benzenesulfonamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4OC

DOS

IR

Vibrations