Geometry & MOs

Info

ID:	330889
PubChem CID:	127248296
Reduced:	SN3O3C22H27 (1)
Stoich.:	AB3C3D22E27 (1)
Weight, g/mol:	414.208947
ΔH_f, kcal/mol:	-93.21
Dipole, Da:	3.26
IP(EA), eV:	-9.23(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-N-[2-(dimethylamino)ethyl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)N2CCC(C2)C3=C(SC4=C3C=CC=N4)C(=O)N5CCOCC5

DOS

IR

Vibrations