Geometry & MOs

Info

ID:

187987

PubChem CID:

77650857

Reduced:

F2O7N12C41H44 (1)

Stoich.:

A2B7C12D41E44 (1)

Weight, g/mol:

375.181251

ΔHf, kcal/mol:

-197.47

Dipole, Da:

2.53

IP(EA), eV:

 -8.54(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[2-(butylcarbamoyloxymethyl)-5-chloro-3-hydroxycyclopentyl]hept-5-enoic acid

Drug info:

PubChemData

Smile

C1CN(CC1NC2=C3C(=NC=N2)N(C=N3)C4C(CC(O4)CO)O)C5=C(C=CC=C5F)C(=O)C6=C(C(=CC=C6)F)N7CCC(C7)NC8=C9C(=NC=N8)N(C=N9)C1C(CC(O1)CO)O

DOS

IR

Vibrations