Geometry & MOs

Info

ID:	28806
PubChem CID:	829752
Reduced:	NO2H17C18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	332.155849
ΔH_f, kcal/mol:	-30.57
Dipole, Da:	3.3
IP(EA), eV:	-8.71(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4S)-4,7,7-trimethyl-3-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)bicyclo[2.2.1]heptane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)CC2=COC3=C2C4=CC=CC=C4C=C3

DOS

IR

Vibrations