Geometry & MOs

Info

ID:	233255
PubChem CID:	89449522
Reduced:	O2N7C20H21 (1)
Stoich.:	A2B7C20D21 (1)
Weight, g/mol:	393.035417
ΔH_f, kcal/mol:	44.75
Dipole, Da:	6.16
IP(EA), eV:	-8.86(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-cyano-3-(1,3-thiazol-2-yl)thiophen-2-yl]-2-(2-oxo-1,5-naphthyridin-1-yl)acetamide

Drug info:

PubChemData

Smile

C1CCC(C1)C(CC#N)N2C=C(C=N2)C3=C(C=NN4C3=CC=C4C(=O)N)NC=O

DOS

IR

Vibrations