Geometry & MOs

Info

ID:

435524

PubChem CID:

135191716

Reduced:

SC25H26 (1)

Stoich.:

AB25C26 (1)

Weight, g/mol:

704.470565

ΔHf, kcal/mol:

122.36

Dipole, Da:

2.64

IP(EA), eV:

 -8.48(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(12aS)-6-(4b,5,6,7,8,8a,9,10-octahydrophenanthren-9-yl)-1,2,3,4,4a,5a,6,7,7a,7b,8,9,10,11,11a,12a,12b,12c-octadecahydro-[1]benzofuro[3,2-c]carbazol-5-yl]-N-cyclohexa-1,3-dien-1-yl-N-phenylaniline

Drug info:

PubChemData

Smile

C[C@H]1C(C=C(C=C1C)C2=CC(=C(C=C2)S)C3C=CC=CC4=C3C5C4C5)C

DOS

IR

Vibrations