Geometry & MOs

Info

ID:	331055
PubChem CID:	127248462
Reduced:	SO3N4C24H24 (1)
Stoich.:	AB3C4D24E24 (1)
Weight, g/mol:	443.162725
ΔH_f, kcal/mol:	-28.89
Dipole, Da:	5.71
IP(EA), eV:	-9.15(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(1,5-dimethylpyrazole-4-carbonyl)morpholin-2-yl]-N-(2-hydroxyethyl)-N-methylthieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1COC(CN1CC2=CC3=C(C=C2)N=CC=C3)C4=C(SC5=C4C=CC=N5)C(=O)NCCO

DOS

IR

Vibrations