Geometry & MOs

Info

ID:

218607

PubChem CID:

85089678

Reduced:

N5O5C25H33 (1)

Stoich.:

A5B5C25D33 (1)

Weight, g/mol:

483.194026

ΔHf, kcal/mol:

-196.75

Dipole, Da:

4.95

IP(EA), eV:

 -8.85(0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[4-[[2-(4-tert-butylcyclohexyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]hydrazinylidene]-3-oxocyclohexa-1,5-dien-1-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)N)NCC(CC2=CC=C(C=C2)O)NC(=O)C

DOS

IR

Vibrations