Geometry & MOs

Info

ID:

234168

PubChem CID:

92297856

Reduced:

Cl2O6N7H19C22 (1)

Stoich.:

A2B6C7D19E22 (1)

Weight, g/mol:

560.25696

ΔHf, kcal/mol:

-71.11

Dipole, Da:

7.73

IP(EA), eV:

 -9.13(-1.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-5-N-[(1S)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-5-N-(4-cyclohexylphenyl)-1,2-thiazole-3,5-dicarboxamide

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)NC1=O)N(C(=N2)N/N=C\C3=CC(=CC=C3)[N+](=O)[O-])C[C@H](COC4=C(C=C(C=C4)Cl)Cl)O

DOS

IR

Vibrations