Geometry & MOs

Info

ID:	39064
PubChem CID:	8139355
Reduced:	SN2O4C22H26 (1)
Stoich.:	AB2C4D22E26 (1)
Weight, g/mol:	394.152872
ΔH_f, kcal/mol:	-125.13
Dipole, Da:	3.71
IP(EA), eV:	-8.64(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4

DOS

IR

Vibrations