Geometry & MOs

Info

ID:	90032
PubChem CID:	49965880
Reduced:	OSN4C26H26 (1)
Stoich.:	ABC4D26E26 (1)
Weight, g/mol:	442.182733
ΔH_f, kcal/mol:	30.51
Dipole, Da:	3.95
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-(2,3-dimethylphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations