Geometry & MOs

Info

ID:	330973
PubChem CID:	127248380
Reduced:	SO4N5C20H23 (1)
Stoich.:	AB4C5D20E23 (1)
Weight, g/mol:	429.147075
ΔH_f, kcal/mol:	-70.18
Dipole, Da:	2.82
IP(EA), eV:	-9.07(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-N-methyl-3-[4-(2-pyrazol-1-ylacetyl)morpholin-2-yl]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)CN4C=CC=N4

DOS

IR

Vibrations