Geometry & MOs

Info

ID:	444853
PubChem CID:	135263753
Reduced:	ON2C18H20 (1)
Stoich.:	AB2C18D20 (1)
Weight, g/mol:	324.168522
ΔH_f, kcal/mol:	17.49
Dipole, Da:	2.48
IP(EA), eV:	-9.01(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 6-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-6-oxohexanoate

Drug info:

PubChemData

Smile

CCCC[C@@H](C1=CC=C(C=C1)C2=NC3=CC=CC=C3O2)N

DOS

IR

Vibrations