Geometry & MOs

Info

ID:

423092

PubChem CID:

135118935

Reduced:

SO4N9C37H53 (1)

Stoich.:

AB4C9D37E53 (1)

Weight, g/mol:

358.132885

ΔHf, kcal/mol:

-117.52

Dipole, Da:

6.07

IP(EA), eV:

 -9.28(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(3aS,7aR)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NN2CC(=O)N[C@H](CN(CC(=O)N[C@H](C3=NC(=CS3)C(=O)N[C@H](C2=N1)CC4=CC=CC=C4)CC(C)C)C(=O)CN(C)C5CCCC5)C(C)C

DOS

IR

Vibrations