Geometry & MOs

Info

ID:

321995

PubChem CID:

126667694

Reduced:

SN2O3F5H19C22 (1)

Stoich.:

AB2C3D5E19F22 (1)

Weight, g/mol:

522.085954

ΔHf, kcal/mol:

-292.65

Dipole, Da:

6.55

IP(EA), eV:

 -9.57(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[2-methoxy-5-(pentafluoro-lambda6-sulfanyl)-3-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]urea

Drug info:

PubChemData

Smile

C1C(C(C2=CC=CC=C21)NC(=O)NC3=C(C=CC(=C3)S(F)(F)(F)(F)F)OC4=CC=CC=C4)O

DOS

IR

Vibrations