Geometry & MOs

Info

ID:	331003
PubChem CID:	127248410
Reduced:	ClSN3O3C21H22 (1)
Stoich.:	ABC3D3E21F22 (1)
Weight, g/mol:	437.177313
ΔH_f, kcal/mol:	-65.99
Dipole, Da:	3.55
IP(EA), eV:	-9.14(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[4-[(2-methylphenyl)methyl]morpholin-2-yl]thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

C1COC(CN1CC2=CC(=CC=C2)Cl)C3=C(SC4=C3C=CC=N4)C(=O)NCCO

DOS

IR

Vibrations