Geometry & MOs

Info

ID:	330919
PubChem CID:	127248326
Reduced:	SN4O4C21H22 (1)
Stoich.:	AB4C4D21E22 (1)
Weight, g/mol:	440.151826
ΔH_f, kcal/mol:	-46.65
Dipole, Da:	8.99
IP(EA), eV:	-9.18(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C2=CC(=NO2)C(=O)N3CCC(C3)C4=C(SC5=C4C=CC=N5)C(=O)NCCO

DOS

IR

Vibrations