Geometry & MOs

Info

ID:	78055
PubChem CID:	49681611
Reduced:	S2N3O3C21H25 (1)
Stoich.:	A2B3C3D21E25 (1)
Weight, g/mol:	463.123563
ΔH_f, kcal/mol:	-72.87
Dipole, Da:	6.76
IP(EA), eV:	-8.85(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-[methyl(propan-2-yl)sulfamoyl]benzamide

Drug info:

PubChemData

Smile

CC1=C2C(=C(C=C1)C)SC(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C(C)C)N2C

DOS

IR

Vibrations