Geometry & MOs

Info

ID:	43258
PubChem CID:	10320316
Reduced:	O3N5H21C24 (1)
Stoich.:	A3B5C21D24 (1)
Weight, g/mol:	427.022557
ΔH_f, kcal/mol:	54.38
Dipole, Da:	4.96
IP(EA), eV:	-8.54(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-6-(2,6-dichlorobenzoyl)oxy-4-(furan-2-carbonylamino)-5-oxohexanoic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CNC2=NC(=CC3=NC(=NN32)C4=CC=CO4)C5=CC=CC=C5)OC

DOS

IR

Vibrations