Geometry & MOs

Info

ID:	330887
PubChem CID:	127248294
Reduced:	SN3O3C24H27 (1)
Stoich.:	AB3C3D24E27 (1)
Weight, g/mol:	401.177313
ΔH_f, kcal/mol:	-73.83
Dipole, Da:	2.5
IP(EA), eV:	-9.15(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-N-(2-hydroxyethyl)-N-methylthieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC(=O)N2CCC(C2)C3=C(SC4=C3C=CC=N4)C(=O)NCCOC

DOS

IR

Vibrations