Geometry & MOs

Info

ID:	39121
PubChem CID:	8139723
Reduced:	OCl2N2C18H21 (1)
Stoich.:	AB2C2D18E21 (1)
Weight, g/mol:	378.124943
ΔH_f, kcal/mol:	-5.19
Dipole, Da:	2.2
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.006465
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[NH+](C)CC1=CC=CC=C1CNC(=O)CC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations