Geometry & MOs

Info

ID:	330826
PubChem CID:	127248233
Reduced:	SN3O3C22H23 (1)
Stoich.:	AB3C3D22E23 (1)
Weight, g/mol:	421.146013
ΔH_f, kcal/mol:	-55.43
Dipole, Da:	4.14
IP(EA), eV:	-9.18(-1.26)
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]-phenylmethanone

Drug info:

PubChemData

Smile

COCCNC(=O)C1=C(C2=C(S1)N=CC=C2)C3CCN(C3)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations