Geometry & MOs

Info

ID:

409014

PubChem CID:

135081788

Reduced:

FO4N5C36H46 (1)

Stoich.:

AB4C5D36E46 (1)

Weight, g/mol:

354.08306

ΔHf, kcal/mol:

-180.89

Dipole, Da:

4.91

IP(EA), eV:

 -9.05(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(E,1R)-1-[(3S,5Z)-3-bromo-2-ethyl-3,4,7,8-tetrahydro-2H-oxocin-8-yl]hex-3-en-5-ynyl] acetate

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@@H]([C@H]([C@@H](CC2=CC=CC=C2)C(=O)NC3[C@@H](CC4=CC=CC=C34)O)F)O)CC5=CN=CC=C5

DOS

IR

Vibrations