Geometry & MOs

Info

ID:	165773
PubChem CID:	74596774
Reduced:	ClFO3N4C19H26 (1)
Stoich.:	ABC3D4E19F26 (1)
Weight, g/mol:	344.119464
ΔH_f, kcal/mol:	-184.02
Dipole, Da:	5.71
IP(EA), eV:	-9.75(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-benzothiazol-2-ylmethyl 1-oxo-3,4,4a,5,6,7,8,8a-octahydro-2H-isoquinoline-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)CN1C(C(C(=O)NC1=O)N(CC(C)C)C(=O)C2=C(C=C(C=C2)Cl)F)N

DOS

IR

Vibrations