Geometry & MOs

Info

ID:	175434
PubChem CID:	75905209
Reduced:	ClFSN2O5C21H24 (1)
Stoich.:	ABCD2E5F21G24 (1)
Weight, g/mol:	460.14345
ΔH_f, kcal/mol:	-218.19
Dipole, Da:	5.76
IP(EA), eV:	-8.61(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-fluorophenoxy)phenyl]-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CC(OC(C3)C)C)F

DOS

IR

Vibrations