Geometry & MOs

Info

ID:	330877
PubChem CID:	127248284
Reduced:	SO3N4C22H24 (1)
Stoich.:	AB3C4D22E24 (1)
Weight, g/mol:	403.156577
ΔH_f, kcal/mol:	-54.59
Dipole, Da:	3.63
IP(EA), eV:	-9.17(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCNC(=O)C1=C(C2=C(S1)N=CC=C2)C3CCN(C3)C(=O)CC4=CC=CC=N4

DOS

IR

Vibrations