Geometry & MOs

Info

ID:	330800
PubChem CID:	127248207
Reduced:	SN3O3C23H31 (1)
Stoich.:	AB3C3D23E31 (1)
Weight, g/mol:	449.177313
ΔH_f, kcal/mol:	-112.85
Dipole, Da:	3.74
IP(EA), eV:	-9.19(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one

Drug info:

PubChemData

Smile

COCCNC(=O)C1=C(C2=C(S1)N=CC=C2)C3CCN(C3)C(=O)CC4CCCCC4

DOS

IR

Vibrations