Geometry & MOs

Info

ID:	89932
PubChem CID:	49965415
Reduced:	BrOSN4H23C25 (1)
Stoich.:	ABCD4E23F25 (1)
Weight, g/mol:	462.12811
ΔH_f, kcal/mol:	36.53
Dipole, Da:	6.25
IP(EA), eV:	-8.46(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C2=C(C3=C(S2)N=C4CCN(CC4=C3)CC5=CC=CC=C5)N)Br

DOS

IR

Vibrations