Geometry & MOs

Info

ID:

162738

PubChem CID:

57560471

Reduced:

SO3H25C26 (1)

Stoich.:

AB3C25D26 (1)

Weight, g/mol:

282.219495

ΔHf, kcal/mol:

-79.25

Dipole, Da:

2.07

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.811217

Charge, e:

 0

Chem-info

IUPAC name:

(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxymethyl 2,2-dimethylbutanoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC(=O)OC2(CCCC2)C)[S+]3C4=CC=CC=C4C5=CC=CC=C53

DOS

IR

Vibrations