Geometry & MOs

Info

ID:	78035
PubChem CID:	49681580
Reduced:	SN3O5C18H19 (1)
Stoich.:	AB3C5D18E19 (1)
Weight, g/mol:	448.087512
ΔH_f, kcal/mol:	-165.04
Dipole, Da:	6.96
IP(EA), eV:	-8.71(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)-4-[methyl(propan-2-yl)sulfamoyl]benzamide

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC2=C(C1)SC(=N2)NC(=O)C3=CC=CC=C3C(=O)OC

DOS

IR

Vibrations