Geometry & MOs

Info

ID:	128966
PubChem CID:	51064219
Reduced:	N3O5C22H25 (1)
Stoich.:	A3B5C22D25 (1)
Weight, g/mol:	337.109627
ΔH_f, kcal/mol:	-110.36
Dipole, Da:	3.78
IP(EA), eV:	-8.86(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dimethylcyclohexyl)-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine

Drug info:

PubChemData

Smile

C/C(=C/C1=CC=CC=C1)/C=N\NC(=O)CNC(=O)C2=CC(=C(C(=C2)OC)OC)OC

DOS

IR

Vibrations