Geometry & MOs

Info

ID:	38866
PubChem CID:	8138080
Reduced:	O2N5H19C23 (1)
Stoich.:	A2B5C19D23 (1)
Weight, g/mol:	423.171559
ΔH_f, kcal/mol:	75.11
Dipole, Da:	3.34
IP(EA), eV:	-8.98(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[cyclopentyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN(C=C2/C=C/C(=O)NNC(=O)C3=CC=CN3)C4=CC=CC=C4

DOS

IR

Vibrations