Geometry & MOs

Info

ID:	302205
PubChem CID:	124360342
Reduced:	S2N3O3C20H21 (1)
Stoich.:	A2B3C3D20E21 (1)
Weight, g/mol:	403.192963
ΔH_f, kcal/mol:	-61.81
Dipole, Da:	5.47
IP(EA), eV:	-8.82(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)[C@@H](CCSC)NC(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2

DOS

IR

Vibrations