Geometry & MOs

Info

ID:	320405
PubChem CID:	126660267
Reduced:	O2S2N3C17H19 (1)
Stoich.:	A2B2C3D17E19 (1)
Weight, g/mol:	435.175833
ΔH_f, kcal/mol:	9.52
Dipole, Da:	5.11
IP(EA), eV:	-8.53(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-amino-2-[2-(4-methoxy-2-methylphenyl)ethyl]benzo[f][1,7]naphthyridin-8-yl]-2,2-difluoropropan-1-one

Drug info:

PubChemData

Smile

C=C(C1=CC=CC=C1NS(=O)(=O)C2=CC=CS2)NN=C3CCCC3

DOS

IR

Vibrations