Geometry & MOs

Info

ID:	160089
PubChem CID:	57304690
Reduced:	N2O3H10C13 (1)
Stoich.:	A2B3C10D13 (1)
Weight, g/mol:	527.267173
ΔH_f, kcal/mol:	-25.12
Dipole, Da:	5.39
IP(EA), eV:	-9.03(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(1R,3R,5S)-3-hydroxy-2-[(phenylmethoxyamino)methylidene]-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-5-enoic acid

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=O)C(=CO2)N3C=CC=N3

DOS

IR

Vibrations