Geometry & MOs

Info

ID:	331022
PubChem CID:	127248429
Reduced:	SN3O5C20H25 (1)
Stoich.:	AB3C5D20E25 (1)
Weight, g/mol:	428.13184
ΔH_f, kcal/mol:	-161.26
Dipole, Da:	2.69
IP(EA), eV:	-9.18(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[2-(4-fluoroanilino)-2-oxoethyl]morpholin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

COCCC(=O)N1CCOC(C1)C2=C(SC3=C2C=CC=N3)C(=O)N4CCOCC4

DOS

IR

Vibrations