Geometry & MOs

Info

ID:	439109
PubChem CID:	135228873
Reduced:	F2N3O4C26H33 (1)
Stoich.:	A2B3C4D26E33 (1)
Weight, g/mol:	522.266462
ΔH_f, kcal/mol:	-229.95
Dipole, Da:	7.2
IP(EA), eV:	-9.2(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-(4-tert-butylsulfinamoylphenyl)-3-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]hexyl]formamide

Drug info:

PubChemData

Smile

CCOCC(=O)C1=CN2C(CC3=CC(=C(C=C3C2=CC1=O)OC)/C(=C/NC(F)F)/CN)C(C)(C)C

DOS

IR

Vibrations