Geometry & MOs

Info

ID:	330802
PubChem CID:	127248209
Reduced:	SO3N4H22C24 (1)
Stoich.:	AB3C4D22E24 (1)
Weight, g/mol:	428.151826
ΔH_f, kcal/mol:	-10.56
Dipole, Da:	1.94
IP(EA), eV:	-9.18(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NOC(=C2C(=O)N3CCC(C3)C4=C(SC5=C4C=CC=N5)C(=O)N)C

DOS

IR

Vibrations