Geometry & MOs

Info

ID:	331094
PubChem CID:	127248501
Reduced:	SN3O3C23H29 (1)
Stoich.:	AB3C3D23E29 (1)
Weight, g/mol:	401.102097
ΔH_f, kcal/mol:	-102.5
Dipole, Da:	7.0
IP(EA), eV:	-8.93(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCOC(C1)C2=C(SC3=C2C=CC=N3)C(=O)N4CCC5(C4)CCCCC5

DOS

IR

Vibrations