Geometry & MOs

Info

ID:	195604
PubChem CID:	78708690
Reduced:	Cl2O2N3C20H24 (1)
Stoich.:	A2B2C3D20E24 (1)
Weight, g/mol:	351.067364
ΔH_f, kcal/mol:	-55.39
Dipole, Da:	4.38
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756328
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-6-fluorophenyl)methyl 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)C[NH+](C)C(C)C(=O)NC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations