Geometry & MOs

Info

ID:	79902
PubChem CID:	49831178
Reduced:	N2O2F4C25H30 (1)
Stoich.:	A2B2C4D25E30 (1)
Weight, g/mol:	299.072848
ΔH_f, kcal/mol:	-257.67
Dipole, Da:	4.52
IP(EA), eV:	-9.5(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N[C@@H](CC1=CC(=CC(=C1)F)F)[C@@H](CNC2(CC2)C3=CC(=CC=C3)C(C)(C)C(F)F)O

DOS

IR

Vibrations