Geometry & MOs

Info

ID:

441798

PubChem CID:

135244868

Reduced:

SCl2N3O4C22H25 (1)

Stoich.:

AB2C3D4E22F25 (1)

Weight, g/mol:

587.2988

ΔHf, kcal/mol:

-117.25

Dipole, Da:

6.25

IP(EA), eV:

 -8.93(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z,4S,8E)-N-[4-[(1S)-2-(2-ethylpent-4-enyl)cyclopropyl]cyclohex-3-en-1-yl]-1-(1-iodo-3,3-dimethylcyclobutyl)-5-methylbicyclo[7.1.0]deca-2,8-dien-4-amine

Drug info:

PubChemData

Smile

CN1CC(C2=C(C1)C(=CC(=C2)Cl)Cl)C3=CC(=CC=C3)NS(=O)(=O)NCCCC(=C=O)CO

DOS

IR

Vibrations