Geometry & MOs

Info

ID:	68753
PubChem CID:	46509031
Reduced:	ClSN2O4H19C20 (1)
Stoich.:	ABC2D4E19F20 (1)
Weight, g/mol:	377.127466
ΔH_f, kcal/mol:	-111.27
Dipole, Da:	4.75
IP(EA), eV:	-9.18(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CS2)COC(=O)CC(C3=CC=C(C=C3)Cl)NC(=O)C

DOS

IR

Vibrations