Geometry & MOs

Info

ID:

313673

PubChem CID:

126617016

Reduced:

Cl2O2S2F3N4H23C29 (1)

Stoich.:

A2B2C2D3E4F23G29 (1)

Weight, g/mol:

308.282764

ΔHf, kcal/mol:

-115.08

Dipole, Da:

4.15

IP(EA), eV:

 -9.22(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2S,5R)-N-[(2S)-2-amino-2-cyclohexylethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1N2C3=C(C=CC(=C3)C(C4=CC=C(C=C4)Cl)C5=NC=CS5)N=C2C6=CC=C(C=C6)Cl)S(=O)(=O)C(F)(F)F

DOS

IR

Vibrations