Geometry & MOs

Info

ID:	250
PubChem CID:	2414
Reduced:	NSO3H15C18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	325.077265
ΔH_f, kcal/mol:	-58.78
Dipole, Da:	3.54
IP(EA), eV:	-9.23(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-oxo-9b-phenyl-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1CSC2(N1C(=O)C3=CC=CC=C32)C4=CC=CC=C4

DOS

IR

Vibrations