Geometry & MOs

Info

ID:	434238
PubChem CID:	135174474
Reduced:	SF2O3N7C21H21 (1)
Stoich.:	AB2C3D7E21F21 (1)
Weight, g/mol:	261.172879
ΔH_f, kcal/mol:	-128.6
Dipole, Da:	6.48
IP(EA), eV:	-8.73(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-heptan-4-yloxy-2-methyl-3H-isoindol-1-one

Drug info:

PubChemData

Smile

CC(C)N1C2=NC(=NC(=C2N(C1=O)C3=CC(=C(C=C3)F)N)N)NC4=C(C=C(C=C4)S(=O)(=O)C)F

DOS

IR

Vibrations