Geometry & MOs

Info

ID:

229582

PubChem CID:

87568083

Reduced:

F2S2N4O6H24C27 (1)

Stoich.:

A2B2C4D6E24F27 (1)

Weight, g/mol:

495.10176

ΔHf, kcal/mol:

-264.54

Dipole, Da:

6.58

IP(EA), eV:

 -9.17(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(3S)-6-[5-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC2=C(C=C1)N/C(=C/3\C(=O)C(CN(C3=O)CC4=CC=C(C=C4)F)CC5=CC=C(C=C5)F)/NS2(=O)=O

DOS

IR

Vibrations