Geometry & MOs

Info

ID:	227830
PubChem CID:	87562618
Reduced:	SN2O2C9H9 (2)
Stoich.:	AB2C2D9E9 (2)
Weight, g/mol:	251.032875
ΔH_f, kcal/mol:	-85.31
Dipole, Da:	9.28
IP(EA), eV:	-9.31(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-difluoro-N-(1H-pyrrol-3-yl)-1,3-benzothiazol-2-amine

Drug info:

PubChemData

Smile

CC(=O)NC1=NC2=C(S1)C=C(C=C2)C3=CC(=CN=C3)S(=O)(=O)N4CCC(C4)O

DOS

IR

Vibrations