Geometry & MOs

Info

ID:	243733
PubChem CID:	99234431
Reduced:	BrClSO2N4H14C19 (1)
Stoich.:	ABCD2E4F14G19 (1)
Weight, g/mol:	475.97094
ΔH_f, kcal/mol:	-5.02
Dipole, Da:	2.02
IP(EA), eV:	-8.86(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS)-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@]2(N(C1=O)C3=C(S2)C=CC(=C3)Cl)C(=O)NCC4=CN5C=C(C=CC5=N4)Br

DOS

IR

Vibrations