Geometry & MOs

Info

ID:	333678
PubChem CID:	127252230
Reduced:	SO2N4C24H28 (1)
Stoich.:	AB2C4D24E28 (1)
Weight, g/mol:	435.161663
ΔH_f, kcal/mol:	-23.81
Dipole, Da:	4.04
IP(EA), eV:	-9.04(-1.1)
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]-2-phenylethanone

Drug info:

PubChemData

Smile

CN(C)CCNC(=O)C1=C(C2=C(S1)N=CC=C2)C3CCN(C3)C(=O)CC4=CC=CC=C4

DOS

IR

Vibrations