Geometry & MOs

Info

ID:	90031
PubChem CID:	49965878
Reduced:	SO4N5H21C23 (1)
Stoich.:	AB4C5D21E23 (1)
Weight, g/mol:	442.182733
ΔH_f, kcal/mol:	-22.44
Dipole, Da:	4.76
IP(EA), eV:	-8.4(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2C(=C(OC3=NNC(=C23)CC(=O)OC)N)C#N)CSC4=CC=CC=N4

DOS

IR

Vibrations