Geometry & MOs

Info

ID:

45013

PubChem CID:

10507182

Reduced:

S2O3C33H56 (1)

Stoich.:

A2B3C33D56 (1)

Weight, g/mol:

565.217242

ΔHf, kcal/mol:

-212.38

Dipole, Da:

5.75

IP(EA), eV:

 -9.02(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1'S,2R)-2'-(4-chlorophenyl)-1,3,3-trimethyl-4'-phenylspiro[benzo[g]indole-2,6'-cyclohexa-2,4-diene]-1'-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CCOC(=O)C(C)SC(=S)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4[C@H](C)CCCC(C)C)C)C

DOS

IR

Vibrations