Geometry & MOs

Info

ID:	330970
PubChem CID:	127248377
Reduced:	SO4N5C21H23 (1)
Stoich.:	AB4C5D21E23 (1)
Weight, g/mol:	403.192963
ΔH_f, kcal/mol:	-84.85
Dipole, Da:	3.02
IP(EA), eV:	-9.13(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCNC(=O)C1=C(C2=C(S1)N=CC=C2)C3CN(CCO3)C(=O)C4=C(N=CC=C4)N

DOS

IR

Vibrations