Geometry & MOs

Info

ID:	328687
PubChem CID:	126726568
Reduced:	S3N14C20H32 (1)
Stoich.:	A3B14C20D32 (1)
Weight, g/mol:	487.250478
ΔH_f, kcal/mol:	111.9
Dipole, Da:	6.53
IP(EA), eV:	-8.96(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2,2-dimethylpropylamino)-3-oxo-1H-isoindol-2-yl]-2-(3-ethoxy-4-methoxyphenyl)-N,N-dimethylethanesulfinamide

Drug info:

PubChemData

Smile

CCSC1=NC(=NC(=N1)NCCNC2=NC(=NC(=N2)SCC)NCCNC3=NC(=NC(=N3)N)SCC)C

DOS

IR

Vibrations