Geometry & MOs

Info

ID:

229422

PubChem CID:

87567601

Reduced:

NO7C32H33 (1)

Stoich.:

AB7C32D33 (1)

Weight, g/mol:

376.117155

ΔHf, kcal/mol:

-238.42

Dipole, Da:

5.36

IP(EA), eV:

 -8.78(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(3S)-6-[(5E)-5-(3-oxopyridin-2-ylidene)-2H-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)OCC(/C=C(/CC1=CC=CC=C1)\C(=O)O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

DOS

IR

Vibrations