Geometry & MOs

Info

ID:	78074
PubChem CID:	49681636
Reduced:	S2N3O5C22H25 (1)
Stoich.:	A2B3C5D22E25 (1)
Weight, g/mol:	461.107913
ΔH_f, kcal/mol:	-144.64
Dipole, Da:	7.87
IP(EA), eV:	-8.92(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C(C)C)S2)CC(=O)OC

DOS

IR

Vibrations