Geometry & MOs

Info

ID:	89921
PubChem CID:	49965393
Reduced:	SO3N5C26H31 (1)
Stoich.:	AB3C5D26E31 (1)
Weight, g/mol:	516.099845
ΔH_f, kcal/mol:	-86.56
Dipole, Da:	5.14
IP(EA), eV:	-8.36(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC(CC1)NC(=O)C2=C(C3=C(S2)N=C4CCN(CC4=C3)CC5=CC=CC=C5)N

DOS

IR

Vibrations