Geometry & MOs

Info

ID:	89935
PubChem CID:	49965431
Reduced:	ClSO3N4H25C26 (1)
Stoich.:	ABC3D4E25F26 (1)
Weight, g/mol:	466.103038
ΔH_f, kcal/mol:	-40.69
Dipole, Da:	6.37
IP(EA), eV:	-8.0(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-6-benzyl-N-(3-chloro-4-fluorophenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1NC(=O)C2=C(C3=C(S2)N=C4CCN(CC4=C3)CC5=CC=CC=C5)N)OC)Cl

DOS

IR

Vibrations