Geometry & MOs

Info

ID:

160291

PubChem CID:

57309638

Reduced:

N4O8C25H34 (1)

Stoich.:

A4B8C25D34 (1)

Weight, g/mol:

410.154964

ΔHf, kcal/mol:

-312.3

Dipole, Da:

4.95

IP(EA), eV:

 -8.99(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3'aS,3'bR,9'aR,9'bS,11'aS)-4',5'-bis(fluoromethylidene)-9'a,11'a-dimethylspiro[1,3-dithiolane-2,7'-3,3a,3b,8,9,9b,10,11-octahydro-1H-naphtho[2,1-e][2]benzofuran]

Drug info:

PubChemData

Smile

C[C@H]([C@@H](C(=O)NCCCCNCCCN(C(=O)C1=C(C(=CC=C1)O)O)C(=O)C2=C(C(=CC=C2)O)O)N)O

DOS

IR

Vibrations