Geometry & MOs

Info

ID:	228140
PubChem CID:	87563514
Reduced:	BrN3O3H14C17 (1)
Stoich.:	AB3C3D14E17 (1)
Weight, g/mol:	305.029269
ΔH_f, kcal/mol:	-43.42
Dipole, Da:	7.46
IP(EA), eV:	-9.56(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-amine

Drug info:

PubChemData

Smile

CCOC(=O)C1=NNC2=C(C1=O)C=CC(=C2)CC3=CN=C(C=C3)Br

DOS

IR

Vibrations