Geometry & MOs

Info

ID:	89919
PubChem CID:	49965380
Reduced:	OS2N6H18C20 (1)
Stoich.:	AB2C6D18E20 (1)
Weight, g/mol:	531.139882
ΔH_f, kcal/mol:	86.78
Dipole, Da:	7.24
IP(EA), eV:	-8.64(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[(3-amino-6-benzyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate

Drug info:

PubChemData

Smile

C1CN(CC2=CC3=C(N=C21)SC(=C3N)C(=O)NC4=NN=CS4)CC5=CC=CC=C5

DOS

IR

Vibrations