Geometry & MOs

Info

ID:	195681
PubChem CID:	78723264
Reduced:	SN2O6C20H24 (1)
Stoich.:	AB2C6D20E24 (1)
Weight, g/mol:	407.13042
ΔH_f, kcal/mol:	-207.73
Dipole, Da:	3.05
IP(EA), eV:	-8.15(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanoate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)OCC(=O)NC1=C(C=C(C=C1)OC)OC)NC(=O)C2=CC=CS2

DOS

IR

Vibrations