Geometry & MOs

Info

ID:

49785

PubChem CID:

11533824

Reduced:

FO2N3C13H15 (2)

Stoich.:

AB2C3D13E15 (2)

Weight, g/mol:

528.170591

ΔHf, kcal/mol:

-209.72

Dipole, Da:

4.96

IP(EA), eV:

 -9.22(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[[2-fluoro-4-(trifluoromethylsulfonyl)phenyl]methoxy]phenyl]-[2-[(2-methylpyrrolidin-1-yl)methyl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

COC(=O)N1C[C@@H](CC[C@H](C1)NC(=O)N2CCC(CC2)N3C4=C(NC3=O)N=CC=C4)C5=C(C(=CC=C5)F)F

DOS

IR

Vibrations