Geometry & MOs

Info

ID:	171680
PubChem CID:	75412964
Reduced:	OS2N5H13C19 (1)
Stoich.:	AB2C5D13E19 (1)
Weight, g/mol:	410.079256
ΔH_f, kcal/mol:	117.48
Dipole, Da:	6.01
IP(EA), eV:	-9.0(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)methanesulfonamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(S2)SCC3=CC=C(C=C3)C(=O)N4C(=C(C=N4)C#N)N

DOS

IR

Vibrations