Geometry & MOs

Info

ID:	331072
PubChem CID:	127248479
Reduced:	SO4N5C20H23 (1)
Stoich.:	AB4C5D20E23 (1)
Weight, g/mol:	429.147075
ΔH_f, kcal/mol:	-70.38
Dipole, Da:	2.56
IP(EA), eV:	-9.18(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C(=O)N2CCOC(C2)C3=C(SC4=C3C=CC=N4)C(=O)NCCOC

DOS

IR

Vibrations