Geometry & MOs

Info

ID:

159586

PubChem CID:

57288495

Reduced:

ClN2O2H13C14 (1)

Stoich.:

AB2C2D13E14 (1)

Weight, g/mol:

498.334525

ΔHf, kcal/mol:

-48.29

Dipole, Da:

7.0

IP(EA), eV:

 -8.79(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (3R)-5-[1-[(1S,3aS,7aS)-4-[2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]cyclopropyl]-3-hydroxy-2,2-dimethylpent-4-enoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N(C2=CC=CC=C2Cl)C(=O)N)O

DOS

IR

Vibrations