Geometry & MOs

Info

ID:	330878
PubChem CID:	127248285
Reduced:	SN3O4C20H25 (1)
Stoich.:	AB3C4D20E25 (1)
Weight, g/mol:	426.152575
ΔH_f, kcal/mol:	-125.67
Dipole, Da:	2.44
IP(EA), eV:	-9.24(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[2-(4-fluoroanilino)-2-oxoethyl]pyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

COCCC(=O)N1CCC(C1)C2=C(SC3=C2C=CC=N3)C(=O)N4CCOCC4

DOS

IR

Vibrations