Geometry & MOs

Info

ID:	61074
PubChem CID:	26705286
Reduced:	SN2O5C24H30 (1)
Stoich.:	AB2C5D24E30 (1)
Weight, g/mol:	394.152872
ΔH_f, kcal/mol:	-180.59
Dipole, Da:	3.37
IP(EA), eV:	-9.41(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoylamino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OC)C

DOS

IR

Vibrations