Geometry & MOs

Info

ID:	333744
PubChem CID:	127252296
Reduced:	SO4N5C20H21 (1)
Stoich.:	AB4C5D20E21 (1)
Weight, g/mol:	411.136511
ΔH_f, kcal/mol:	-61.02
Dipole, Da:	3.39
IP(EA), eV:	-9.22(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone

Drug info:

PubChemData

Smile

C1COCCN1C(=O)C2=C(C3=C(S2)N=CC=C3)C4CN(CCO4)C(=O)C5=CC=NN5

DOS

IR

Vibrations