Geometry & MOs

Info

ID:

147345

PubChem CID:

53787001

Reduced:

SO4F18H62C76 (1)

Stoich.:

AB4C18D62E76 (1)

Weight, g/mol:

348.93665

ΔHf, kcal/mol:

-940.42

Dipole, Da:

15.33

IP(EA), eV:

 -8.71(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-3-(iodomethyl)pyrrole-2,5-diol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)(C(F)(F)F)C(F)(F)F.CC1=CC=C(C=C1)OC2=CC=C(C=C2)C(C3=CC=C(C=C3)OC4=CC=C(C=C4)C)(C(F)(F)F)C(F)(F)F.CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C.CC1=CC(=C(C=C1)C2=C(C=C(C=C2)C)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations