Geometry & MOs

Info

ID:	330798
PubChem CID:	127248205
Reduced:	SN3O3C23H29 (1)
Stoich.:	AB3C3D23E29 (1)
Weight, g/mol:	415.192963
ΔH_f, kcal/mol:	-99.72
Dipole, Da:	3.32
IP(EA), eV:	-9.09(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)N2CCC(C2)C3=C(SC4=C3C=CC=N4)C(=O)N5CCOCC5

DOS

IR

Vibrations