Geometry & MOs

Info

ID:	142003
PubChem CID:	52966706
Reduced:	S2N3O4C23H33 (1)
Stoich.:	A2B3C4D23E33 (1)
Weight, g/mol:	436.219592
ΔH_f, kcal/mol:	-141.0
Dipole, Da:	13.49
IP(EA), eV:	-9.09(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(2-ethoxyethyl)-6-fluoro-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-ylidene]-3-pentoxybenzamide

Drug info:

PubChemData

Smile

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4C(CCCC4S3)OC)C)C

DOS

IR

Vibrations