Geometry & MOs

Info

ID:	302199
PubChem CID:	124360336
Reduced:	N4O4H14C17 (1)
Stoich.:	A4B4C14D17 (1)
Weight, g/mol:	437.177313
ΔH_f, kcal/mol:	-53.36
Dipole, Da:	5.16
IP(EA), eV:	-8.43(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,9bS)-2,2-dimethyl-N-[(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)N3C(=O)C4=CC=CC=C4N=N3

DOS

IR

Vibrations