Geometry & MOs

Info

ID:

184921

PubChem CID:

77229306

Reduced:

ClO3N7C22H24 (1)

Stoich.:

AB3C7D22E24 (1)

Weight, g/mol:

609.224178

ΔHf, kcal/mol:

-7.37

Dipole, Da:

7.11

IP(EA), eV:

 -8.52(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[1-[(2-chloro-6-ethoxyphenyl)methyl]-4-hydroxy-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]carbamoylamino]-3-(3-cyclopentyloxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

CC1=CN(C(=O)C(=C1O)NC(=O)NC(C2NNNN2)C3=CC=CC=C3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations