Geometry & MOs

Info

ID:	243732
PubChem CID:	99234424
Reduced:	ClSN2O4C23H23 (1)
Stoich.:	ABC2D4E23F23 (1)
Weight, g/mol:	475.97094
ΔH_f, kcal/mol:	-133.0
Dipole, Da:	1.9
IP(EA), eV:	-8.97(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-7-chloro-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](OC1)COC2=CC=CC(=C2)CNC(=O)[C@@]34CCC(=O)N3C5=C(S4)C=CC(=C5)Cl

DOS

IR

Vibrations