Geometry & MOs

Info

ID:	331048
PubChem CID:	127248455
Reduced:	SN4O4C22H30 (1)
Stoich.:	AB4C4D22E30 (1)
Weight, g/mol:	446.108248
ΔH_f, kcal/mol:	-132.34
Dipole, Da:	6.06
IP(EA), eV:	-9.01(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCCN(CC1)CC(=O)N2CCOC(C2)C3=C(SC4=C3C=CC=N4)C(=O)NCCO

DOS

IR

Vibrations