Geometry & MOs

Info

ID:	223616
PubChem CID:	85335312
Reduced:	N3O7C23H27 (1)
Stoich.:	A3B7C23D27 (1)
Weight, g/mol:	457.207608
ΔH_f, kcal/mol:	-271.49
Dipole, Da:	6.14
IP(EA), eV:	-8.38(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[3,5-dihydroxy-2-[3-hydroxy-4-[4-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(CCCC2=C(C=C(C=C2O)N)N)C=O)C(=O)NC(CCC(=O)O)C(=O)O

DOS

IR

Vibrations