Geometry & MOs

Info

ID:	180719
PubChem CID:	76674073
Reduced:	NO4C8H13 (1)
Stoich.:	AB4C8D13 (1)
Weight, g/mol:	575.206562
ΔH_f, kcal/mol:	-157.42
Dipole, Da:	4.25
IP(EA), eV:	-9.93(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[8-[2-(1,3-dioxoisoindol-2-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-(2,4,5-trifluorophenyl)ethyl]-2-methylpropane-2-sulfinamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)C2C(C(CO2)O)O

DOS

IR

Vibrations