Geometry & MOs

Info

ID:

32181

PubChem CID:

6435774

Reduced:

ClN2O2H13C17 (1)

Stoich.:

AB2C2D13E17 (1)

Weight, g/mol:

412.297745

ΔHf, kcal/mol:

-28.38

Dipole, Da:

5.34

IP(EA), eV:

 -9.36(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,3S,5Z)-5-[(2E)-2-[1-[(E,2R,5R)-5-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

CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)N2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations