Geometry & MOs

Info

ID:

298508

PubChem CID:

117650416

Reduced:

SCl2N4O5C25H33 (2)

Stoich.:

AB2C4D5E25F33 (2)

Weight, g/mol:

300.136159

ΔHf, kcal/mol:

-377.99

Dipole, Da:

9.53

IP(EA), eV:

 -9.0(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]cyclohexa-3,5-diene-1,2-dione

Drug info:

PubChemData

Smile

CN1C[C@@H](C2=C(C1)C(=CC(=C2)Cl)Cl)C3=CC(=CC=C3)S(=O)(=O)NCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)C4=CC=CC(=C4)[C@@H]5CN(CC6=C5C=C(C=C6Cl)Cl)C

DOS

IR

Vibrations