Geometry & MOs

Info

ID:

169195

PubChem CID:

75073709

Reduced:

FSN3O4C20H24 (1)

Stoich.:

ABC3D4E20F24 (1)

Weight, g/mol:

570.217988

ΔHf, kcal/mol:

-162.35

Dipole, Da:

7.53

IP(EA), eV:

 -8.99(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3C(=O)N4CCC(C4)N)F

DOS

IR

Vibrations