Geometry & MOs

Info

ID:	305174
PubChem CID:	124767364
Reduced:	N2O4C23H34 (1)
Stoich.:	A2B4C23D34 (1)
Weight, g/mol:	486.101621
ΔH_f, kcal/mol:	-178.95
Dipole, Da:	5.16
IP(EA), eV:	-8.48(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3aR,4S,7R,7aR)-2-(4-chlorophenyl)-1,3-dioxo-7,7a-dihydro-3aH-4,7-epoxyisoindol-4-yl]methyl]-2,4,6-trimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC[C@@H](CN[C@H]3CCCC[C@H]3C)O)C)C

DOS

IR

Vibrations