Geometry & MOs

Info

ID:

179509

PubChem CID:

76491490

Reduced:

SN7O9H33C42 (1)

Stoich.:

AB7C9D33E42 (1)

Weight, g/mol:

458.284381

ΔHf, kcal/mol:

-36.86

Dipole, Da:

10.6

IP(EA), eV:

 -9.31(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-cyclopentyl-6,6-difluoro-2-(5-hydroxypent-3-enyl)-3-(oxan-2-yloxy)dec-3-enoic acid

Drug info:

PubChemData

Smile

C1CN(C(=O)C1=CC2=C(N3C(CO2)C(C3=O)NC(=O)C(=NOC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C7=CSC(=N7)N)C(=O)O)C8=CC(=CC=C8)[N+](=O)[O-]

DOS

IR

Vibrations