Geometry & MOs

Info

ID:	330961
PubChem CID:	127248368
Reduced:	SO4N5C21H25 (1)
Stoich.:	AB4C5D21E25 (1)
Weight, g/mol:	443.162725
ΔH_f, kcal/mol:	-76.1
Dipole, Da:	6.49
IP(EA), eV:	-8.91(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(1-ethylpyrazole-3-carbonyl)morpholin-2-yl]-N-(2-hydroxyethyl)-N-methylthieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C=CC(=N1)C(=O)N2CCOC(C2)C3=C(SC4=C3C=CC=N4)C(=O)NCCOC

DOS

IR

Vibrations