Geometry & MOs

Info

ID:	237195
PubChem CID:	92717845
Reduced:	NCl2O3H13C21 (1)
Stoich.:	AB2C3D13E21 (1)
Weight, g/mol:	473.208134
ΔH_f, kcal/mol:	-11.05
Dipole, Da:	4.96
IP(EA), eV:	-9.47(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-4-methylpentanamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)C(=O)OC2=CC3=C(C=C2)C(=NO3)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations