Geometry & MOs

Info

ID:	122257
PubChem CID:	50800206
Reduced:	ClON5H16C18 (1)
Stoich.:	ABC5D16E18 (1)
Weight, g/mol:	420.081364
ΔH_f, kcal/mol:	86.98
Dipole, Da:	7.25
IP(EA), eV:	-8.86(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)sulfamoyl]benzoate

Drug info:

PubChemData

Smile

CC1=C(N2C(=NC(=N2)C3=CC=CO3)N=C1C)NCC4=CC=CC=C4Cl

DOS

IR

Vibrations