Geometry & MOs

Info

ID:	39119
PubChem CID:	8139720
Reduced:	SN2O5C18H22 (1)
Stoich.:	AB2C5D18E22 (1)
Weight, g/mol:	378.124943
ΔH_f, kcal/mol:	-178.92
Dipole, Da:	3.91
IP(EA), eV:	-8.6(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(dimethylamino)-1-oxopropan-2-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)N(C)C)OC(=O)[C@@H](CCSC)N1C(=O)C2=CC=CC=C2C1=O

DOS

IR

Vibrations