Geometry & MOs

Info

ID:	89920
PubChem CID:	49965381
Reduced:	S2O3N5H25C27 (1)
Stoich.:	A2B3C5D25E27 (1)
Weight, g/mol:	493.214761
ΔH_f, kcal/mol:	-30.46
Dipole, Da:	8.23
IP(EA), eV:	-8.75(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=C(C3=C(S2)N=C4CCN(CC4=C3)CC5=CC=CC=C5)N)C#N)C

DOS

IR

Vibrations