Geometry & MOs

Info

ID:	172030
PubChem CID:	75455425
Reduced:	SO2N4C16H20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	407.050668
ΔH_f, kcal/mol:	-24.34
Dipole, Da:	6.25
IP(EA), eV:	-9.07(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-aminothieno[2,3-b]pyridine-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1=NC=C(S1)C(=O)NC2=C(C=CN=C2)N3CCOCC3

DOS

IR

Vibrations