Geometry & MOs

Info

ID:	49661
PubChem CID:	11533490
Reduced:	SN2F3O6C22H27 (1)
Stoich.:	AB2C3D6E22F27 (1)
Weight, g/mol:	504.179755
ΔH_f, kcal/mol:	-383.0
Dipole, Da:	7.4
IP(EA), eV:	-8.99(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamate

Drug info:

PubChemData

Smile

CN(CCN1CCCC1)C(=O)C2CCC3(CC2)C4=C(C=C(C=C4)OS(=O)(=O)C(F)(F)F)C(=O)O3

DOS

IR

Vibrations