Geometry & MOs

Info

ID:

441858

PubChem CID:

135246063

Reduced:

FO2N7C28H30 (1)

Stoich.:

AB2C7D28E30 (1)

Weight, g/mol:

527.208116

ΔHf, kcal/mol:

53.93

Dipole, Da:

3.03

IP(EA), eV:

 -8.94(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[4-[[5-[1-(2-fluorophenyl)-5-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]triazol-4-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]methyl]azetidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(CCC1CO)CC2=CC=C(C=C2)C3=NOC(=N3)/C(=C(\C4=CC=NC=C4)/N(C5=CC=CC=C5F)N)/N

DOS

IR

Vibrations