Geometry & MOs

Info

ID:

169198

PubChem CID:

75073712

Reduced:

ClSO3N6C28H33 (1)

Stoich.:

ABC3D6E28F33 (1)

Weight, g/mol:

513.160139

ΔHf, kcal/mol:

-81.75

Dipole, Da:

7.78

IP(EA), eV:

 -8.83(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-acetyl-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CN1CCC2=C(C1)SC(=N2)C(=O)NC3CC(CCC3NC(=O)C4=CC5=C(N4)C=CC(=C5)Cl)C(=O)N6CCCC6

DOS

IR

Vibrations