Geometry & MOs

Info

ID:

147299

PubChem CID:

53786954

Reduced:

N2O2F3C41H51 (1)

Stoich.:

A2B2C3D41E51 (1)

Weight, g/mol:

536.361408

ΔHf, kcal/mol:

-236.03

Dipole, Da:

6.35

IP(EA), eV:

 -8.89(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2-[(1R,3aS,7aR)-1-[(2R)-5-[1-(5-butyl-1,3,4-oxadiazol-2-yl)cyclopropyl]-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

Drug info:

PubChemData

Smile

CCCCCCCCC=CCCCCCCCC(=O)N1CCC2=C(C1)C=CC(=C2)NC(=O)C3=CC=CC=C3C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations