Geometry & MOs

Info

ID:	436787
PubChem CID:	135211453
Reduced:	O2N3C31H37 (1)
Stoich.:	A2B3C31D37 (1)
Weight, g/mol:	573.108293
ΔH_f, kcal/mol:	2.91
Dipole, Da:	10.25
IP(EA), eV:	-8.6(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxopyridin-1-yl]-N-(2-cyanoquinolin-6-yl)butanamide

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1N2CCC(CC2)OCC3CC3)C(C)(C)C4=C(C5=C(N4)C=C(C=C5)C#N)C)C=O

DOS

IR

Vibrations