Geometry & MOs

Info

ID:	330964
PubChem CID:	127248371
Reduced:	SN4O4C20H20 (1)
Stoich.:	AB4C4D20E20 (1)
Weight, g/mol:	438.136176
ΔH_f, kcal/mol:	-78.16
Dipole, Da:	3.23
IP(EA), eV:	-8.99(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]morpholin-4-yl]-pyridin-2-ylmethanone

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)C2=CC=CC=N2)C3=C(SC4=C3C=CC=N4)C(=O)NCCO

DOS

IR

Vibrations