Geometry & MOs

Info

ID:	330827
PubChem CID:	127248234
Reduced:	SN3O3C23H23 (1)
Stoich.:	AB3C3D23E23 (1)
Weight, g/mol:	441.152241
ΔH_f, kcal/mol:	-49.21
Dipole, Da:	3.3
IP(EA), eV:	-9.22(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[2-(3-fluoro-4-methoxyphenyl)acetyl]pyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CC1C2=C(SC3=C2C=CC=N3)C(=O)N4CCOCC4)C(=O)C5=CC=CC=C5

DOS

IR

Vibrations