Geometry & MOs

Info

ID:	330852
PubChem CID:	127248259
Reduced:	SO2N4C24H26 (1)
Stoich.:	AB2C4D24E26 (1)
Weight, g/mol:	437.177313
ΔH_f, kcal/mol:	-19.64
Dipole, Da:	1.79
IP(EA), eV:	-9.0(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[2-(3,4-dimethylphenyl)acetyl]pyrrolidin-3-yl]-N-(2-hydroxyethyl)thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CC1C2=C(SC3=C2C=CC=N3)C(=O)N)C(=O)CCCN4CC5=CC=CC=C5C4

DOS

IR

Vibrations