Geometry & MOs

Info

ID:	330879
PubChem CID:	127248286
Reduced:	FSO2N4C22H23 (1)
Stoich.:	ABC2D4E22F23 (1)
Weight, g/mol:	448.193297
ΔH_f, kcal/mol:	-59.51
Dipole, Da:	4.05
IP(EA), eV:	-8.98(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=C(C2=C(S1)N=CC=C2)C3CCN(C3)CC(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations