Geometry & MOs

Info

ID:	331092
PubChem CID:	127248499
Reduced:	SF2N3O3C16H17 (1)
Stoich.:	AB2C3D3E16F17 (1)
Weight, g/mol:	439.156577
ΔH_f, kcal/mol:	-190.05
Dipole, Da:	3.72
IP(EA), eV:	-9.29(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-acetylmorpholin-2-yl)-N-(2-propan-2-yloxyphenyl)thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCOC(C1)C2=C(SC3=C2C=CC=N3)C(=O)NCC(F)F

DOS

IR

Vibrations