Geometry & MOs

Info

ID:	331100
PubChem CID:	127248507
Reduced:	SN3O3C20H25 (1)
Stoich.:	AB3C3D20E25 (1)
Weight, g/mol:	359.130363
ΔH_f, kcal/mol:	-106.81
Dipole, Da:	4.25
IP(EA), eV:	-9.12(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-(pyrrolidine-1-carbonyl)thieno[2,3-b]pyridin-3-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)N1CCOC(C1)C2=C(SC3=C2C=CC=N3)C(=O)NC4CCCCC4

DOS

IR

Vibrations