Geometry & MOs

Info

ID:	39116
PubChem CID:	8139716
Reduced:	NO2C10H13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	378.124943
ΔH_f, kcal/mol:	-111.44
Dipole, Da:	5.2
IP(EA), eV:	-8.4(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)CC1=CC=CC=C1CNC(=O)C2=C(C(=C(C=C2)OC)OC)OC

DOS

IR

Vibrations