Geometry & MOs

Info

ID:	302451
PubChem CID:	124361796
Reduced:	SO2N3C20H27 (1)
Stoich.:	AB2C3D20E27 (1)
Weight, g/mol:	384.130777
ΔH_f, kcal/mol:	-86.33
Dipole, Da:	2.76
IP(EA), eV:	-8.9(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,9bS)-N-[2-(3-fluorophenyl)ethyl]-2,2-dimethyl-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide

Drug info:

PubChemData

Smile

CC1(CC(CC(N1)(C)C)NC(=O)[C@H]2CS[C@H]3N2C(=O)C4=CC=CC=C34)C

DOS

IR

Vibrations