Geometry & MOs

Info

ID:	180660
PubChem CID:	76665425
Reduced:	FSO4N6C27H29 (1)
Stoich.:	ABC4D6E27F29 (1)
Weight, g/mol:	392.196074
ΔH_f, kcal/mol:	-93.93
Dipole, Da:	7.56
IP(EA), eV:	-8.42(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(1H-isoindol-5-ylamino)-6-(2-methoxypyrimidin-5-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-2,7-naphthyridin-1-one

Drug info:

PubChemData

Smile

CCOC1CCN(CC1)C2=C(C=C(C=C2)NC3=NC(=CC4=CC=NC(=O)C43)NC5=CC=CC=C5S(=O)(=O)N)F

DOS

IR

Vibrations