Geometry & MOs

Info

ID:	330958
PubChem CID:	127248365
Reduced:	S2N3O4C21H23 (1)
Stoich.:	A2B3C4D21E23 (1)
Weight, g/mol:	430.131091
ΔH_f, kcal/mol:	-96.53
Dipole, Da:	5.26
IP(EA), eV:	-8.78(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(3-ethyl-1,2-oxazole-5-carbonyl)morpholin-2-yl]-N-(2-hydroxyethyl)thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=C(C2=C(S1)N=CC=C2)C3CN(CCO3)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations