Geometry & MOs

Info

ID:	331056
PubChem CID:	127248463
Reduced:	SO4N5C21H25 (1)
Stoich.:	AB4C5D21E25 (1)
Weight, g/mol:	442.17871
ΔH_f, kcal/mol:	-84.89
Dipole, Da:	8.6
IP(EA), eV:	-9.01(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-N-(2-hydroxyethyl)thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)C(=O)N2CCOC(C2)C3=C(SC4=C3C=CC=N4)C(=O)N(C)CCO

DOS

IR

Vibrations