Geometry & MOs

Info

ID:

43001

PubChem CID:

10317676

Reduced:

ClN2O2H21C22 (1)

Stoich.:

AB2C2D21E22 (1)

Weight, g/mol:

380.06232

ΔHf, kcal/mol:

83.07

Dipole, Da:

2.54

IP(EA), eV:

 -9.02(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3aR,4R,5R,6aS)-4-[(E,3R)-5-(4-bromophenyl)-3-hydroxypent-1-enyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

Drug info:

PubChemData

Smile

C[C@]1(C(=C[C@H]2C(=O)[C@@]1(C3=C4[C@@H](C2(C)C)C(=O)N(C4=CC=C3)C)[N+]#[C-])Cl)C=C

DOS

IR

Vibrations