Geometry & MOs

Info

ID:	78051
PubChem CID:	49681603
Reduced:	S2N3O3C21H25 (1)
Stoich.:	A2B3C3D21E25 (1)
Weight, g/mol:	461.107913
ΔH_f, kcal/mol:	-76.66
Dipole, Da:	8.37
IP(EA), eV:	-8.69(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-methyl-2-[4-[methyl(propan-2-yl)sulfamoyl]benzoyl]imino-1,3-benzothiazole-6-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)SC(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C(C)C)N2C)C

DOS

IR

Vibrations