Geometry & MOs

Info

ID:	63405
PubChem CID:	26758255
Reduced:	BrN2O5H17C20 (1)
Stoich.:	AB2C5D17E20 (1)
Weight, g/mol:	430.093164
ΔH_f, kcal/mol:	-158.36
Dipole, Da:	4.76
IP(EA), eV:	-8.75(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)[C@@H](C)OC(=O)CN2C(=O)C3=CC=CC=C3C2=O)Br

DOS

IR

Vibrations