Geometry & MOs

Info

ID:

320353

PubChem CID:

126659686

Reduced:

FN2O4C30H31 (1)

Stoich.:

AB2C4D30E31 (1)

Weight, g/mol:

540.262422

ΔHf, kcal/mol:

-158.11

Dipole, Da:

4.29

IP(EA), eV:

 -8.65(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-[4-[4-[1-[(Z)-1-[4-(1,3-benzodioxol-5-yl)butan-2-ylamino]propan-2-ylideneamino]oxyethenyl]phenyl]phenyl]cyclopropyl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C2C=CN(C2=N1)CC3=CC=C(C=C3)F)C4=CC5=C(C=C4)OCCC5)[C@@H](C(=O)O)OC(C)(C)C

DOS

IR

Vibrations