Geometry & MOs

Info

ID:	81111
PubChem CID:	49854363
Reduced:	OSN3C10H14 (2)
Stoich.:	ABC3D10E14 (2)
Weight, g/mol:	423.119895
ΔH_f, kcal/mol:	-49.3
Dipole, Da:	3.58
IP(EA), eV:	-8.2(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-N-[7-(1-fluoro-2-methylpropan-2-yl)-4,5-dihydro-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl]pyrrolidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC2=C(S1)CCC3=C2SC(=N3)NC(=O)N4C[C@@H](C[C@H]4C(=O)N)N(C)C

DOS

IR

Vibrations