Geometry & MOs

Info

ID:	331091
PubChem CID:	127248498
Reduced:	SN4O4C21H24 (1)
Stoich.:	AB4C4D21E24 (1)
Weight, g/mol:	369.095869
ΔH_f, kcal/mol:	-75.57
Dipole, Da:	5.39
IP(EA), eV:	-9.28(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=NOC(=C1)CNC(=O)C2=C(C3=C(S2)N=CC=C3)C4CN(CCO4)C(=O)C

DOS

IR

Vibrations