Geometry & MOs

Info

ID:	335760
PubChem CID:	127254622
Reduced:	O2F3N3H16C22 (1)
Stoich.:	A2B3C3D16E22 (1)
Weight, g/mol:	359.110376
ΔH_f, kcal/mol:	-144.61
Dipole, Da:	7.01
IP(EA), eV:	-8.43(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide

Drug info:

PubChemData

Smile

CC(=O)N1CC2=C(C1=O)C(C3=CN(C4=CC=CC(=C43)N2)C)C5=CC(=C(C(=C5)F)F)F

DOS

IR

Vibrations