Geometry & MOs

Info

ID:	89924
PubChem CID:	49965403
Reduced:	SN3O3H25C26 (1)
Stoich.:	AB3C3D25E26 (1)
Weight, g/mol:	482.073488
ΔH_f, kcal/mol:	-18.42
Dipole, Da:	7.01
IP(EA), eV:	-8.3(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-6-benzyl-N-(3,5-dichlorophenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)C2=C(C3=C(S2)N=C4CCN(CC4=C3)CC5=CC=CC=C5)N)OC

DOS

IR

Vibrations