Geometry & MOs

Info

ID:

229412

PubChem CID:

87567577

Reduced:

ClSi2N5O6C52H58 (1)

Stoich.:

AB2C5D6E52F58 (1)

Weight, g/mol:

358.154702

ΔHf, kcal/mol:

-138.08

Dipole, Da:

9.7

IP(EA), eV:

 -7.63(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(Z)-7-[(1R,2R,3R,5R)-5-chloro-2-formyl-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid

Drug info:

PubChemData

Smile

CC(C)([C@H](CNCC1=CC(=C(C=C1)NC(=O)CCN2CC[C@H](C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C(=O)N)Cl)C5=C6C=CC(=O)NC6=C(C=C5)OCC7=CC=CC=C7)C(O[Si]C)O[Si]C

DOS

IR

Vibrations