Geometry & MOs

Info

ID:	187084
PubChem CID:	77529922
Reduced:	ClSN5O5C18H24 (1)
Stoich.:	ABC5D5E18F24 (1)
Weight, g/mol:	400.125692
ΔH_f, kcal/mol:	-181.54
Dipole, Da:	6.11
IP(EA), eV:	-8.87(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 7-(4-fluorophenyl)-4-oxo-3-phenyl-3,3a,5,6,7,7a-hexahydro-2H-[1,2]thiazolo[5,4-c]pyridine-5-carboxylate

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)C(C(=O)N)NS(=O)(=O)C2=CC=CC(=C2Cl)N3CCCC3=O

DOS

IR

Vibrations