Geometry & MOs

Info

ID:	237255
PubChem CID:	92718034
Reduced:	ClN2O4C24H27 (1)
Stoich.:	AB2C4D24E27 (1)
Weight, g/mol:	387.204573
ΔH_f, kcal/mol:	-153.58
Dipole, Da:	5.46
IP(EA), eV:	-9.49(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-tert-butylphenoxy)ethyl 2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetate

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)NCC(=O)OCC(=O)N[C@H](C2=CC=CC=C2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations