Geometry & MOs

Info

ID:	331063
PubChem CID:	127248470
Reduced:	SN4O5C21H26 (1)
Stoich.:	AB4C5D21E26 (1)
Weight, g/mol:	442.131091
ΔH_f, kcal/mol:	-159.56
Dipole, Da:	2.78
IP(EA), eV:	-9.35(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CCO)C(=O)C1=C(C2=C(S1)N=CC=C2)C3CN(CCO3)C(=O)CN4CCCC4=O

DOS

IR

Vibrations