Geometry & MOs

Info

ID:

441782

PubChem CID:

135244502

Reduced:

SCl2F2N2O4H16C18 (1)

Stoich.:

AB2C2D2E4F16G18 (1)

Weight, g/mol:

520.318875

ΔHf, kcal/mol:

-207.1

Dipole, Da:

4.65

IP(EA), eV:

 -8.89(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6,8,8-trimethyl-5-tricyclo[4.2.0.01,3]octanyl) 6-hydroxy-5-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-3,4-dioxo-2-pentylcyclohexa-1,5-diene-1-carboxylate

Drug info:

PubChemData

Smile

CN(C1=C(C=CC(=C1Cl)CS(=O)CC2=C(N=CC=C2)C(=O)OC)Cl)C(=O)C(F)F

DOS

IR

Vibrations