Geometry & MOs

Info

ID:

163154

PubChem CID:

57646620

Reduced:

ClN2S2O5H23C33 (1)

Stoich.:

AB2C2D5E23F33 (1)

Weight, g/mol:

428.079994

ΔHf, kcal/mol:

-48.54

Dipole, Da:

13.66

IP(EA), eV:

 -9.21(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4Z)-4-[[3-[(3-chloro-4-fluorophenyl)methyl]-4-methoxyphenyl]methylidene]-1-(2H-tetrazol-5-yl)pyrazolidine-3,5-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NC=C(S3)S(=O)(=O)C4=CC=CC=C4)C5=CC(=CC=C5)Cl)/O)C6=CC=CC=C6

DOS

IR

Vibrations