Geometry & MOs

Info

ID:

160024

PubChem CID:

57304394

Reduced:

N4O5C33H44 (1)

Stoich.:

A4B5C33D44 (1)

Weight, g/mol:

405.287909

ΔHf, kcal/mol:

-186.42

Dipole, Da:

1.95

IP(EA), eV:

 -9.14(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[(1R,2S)-2-[(3R)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopent-3-en-1-yl]hept-5-enyl N-methylcarbamate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N)N([C@H](CC1=CC=CC=C1)[C@H](CNCC([C@@H](CC2=CC=CC=C2)N)O)O)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations