Geometry & MOs

Info

ID:	331002
PubChem CID:	127248409
Reduced:	SN4O5C21H28 (1)
Stoich.:	AB4C5D21E28 (1)
Weight, g/mol:	431.10704
ΔH_f, kcal/mol:	-157.76
Dipole, Da:	5.33
IP(EA), eV:	-9.07(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(3-chlorophenyl)methyl]morpholin-2-yl]-N-(2-hydroxyethyl)thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

COCCNC(=O)CN1CCOC(C1)C2=C(SC3=C2C=CC=N3)C(=O)N4CCOCC4

DOS

IR

Vibrations