Geometry & MOs

Info

ID:

127655

PubChem CID:

51010448

Reduced:

SO6C19H28 (1)

Stoich.:

AB6C19D28 (1)

Weight, g/mol:

456.079628

ΔHf, kcal/mol:

-211.61

Dipole, Da:

5.16

IP(EA), eV:

 -8.24(0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

dimethyl (1S,8S)-4,5-bis(trifluoromethyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene-15,16-dicarboxylate

Drug info:

PubChemData

Smile

CC1([C@H]2CC[C@@]1([C@H](C2)O)C[S@@](=O)[C@H]3[C@H]4C=C[C@@]([C@H]3C(=O)OC)(O4)OC)C

DOS

IR

Vibrations