Geometry & MOs

Info

ID:	78075
PubChem CID:	49681637
Reduced:	S2N3O5C21H23 (1)
Stoich.:	A2B3C5D21E23 (1)
Weight, g/mol:	495.068941
ΔH_f, kcal/mol:	-136.07
Dipole, Da:	7.85
IP(EA), eV:	-9.06(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[6-chloro-2-[4-[methyl(propan-2-yl)sulfamoyl]benzoyl]imino-1,3-benzothiazol-3-yl]acetate

Drug info:

PubChemData

Smile

CC(C)N(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=CC=CC=C3S2)CC(=O)OC

DOS

IR

Vibrations