Geometry & MOs

Info

ID:	78112
PubChem CID:	49681681
Reduced:	S2N3O3C21H25 (1)
Stoich.:	A2B3C3D21E25 (1)
Weight, g/mol:	489.139213
ΔH_f, kcal/mol:	-80.23
Dipole, Da:	8.31
IP(EA), eV:	-8.64(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[5,6-dimethyl-2-[4-[methyl(propan-2-yl)sulfamoyl]benzoyl]imino-1,3-benzothiazol-3-yl]acetate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)SC(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C(C)C)N2C

DOS

IR

Vibrations