Geometry & MOs

Info

ID:	331066
PubChem CID:	127248473
Reduced:	SO3N6C20H24 (1)
Stoich.:	AB3C6D20E24 (1)
Weight, g/mol:	444.146741
ΔH_f, kcal/mol:	-44.49
Dipole, Da:	2.45
IP(EA), eV:	-9.2(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)C)CCC(=O)N2CCOC(C2)C3=C(SC4=C3C=CC=N4)C(=O)NC

DOS

IR

Vibrations