Geometry & MOs

Info

ID:	243731
PubChem CID:	99234418
Reduced:	NSO4C15H21 (1)
Stoich.:	ABC4D15E21 (1)
Weight, g/mol:	458.106706
ΔH_f, kcal/mol:	-178.04
Dipole, Da:	5.97
IP(EA), eV:	-9.73(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS)-7-chloro-1-oxo-N-[[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide

Drug info:

PubChemData

Smile

CC(C)CS(=O)(=O)NC(=O)C[C@H]1C2=CC=CC=C2CCO1

DOS

IR

Vibrations