Geometry & MOs

Info

ID:

185190

PubChem CID:

77268440

Reduced:

ClN4O8C32H47 (1)

Stoich.:

AB4C8D32E47 (1)

Weight, g/mol:

450.19032

ΔHf, kcal/mol:

-362.77

Dipole, Da:

8.52

IP(EA), eV:

 -9.23(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(2-carbamoyl-2-cyanocyclopropyl)-2-(6-hydroxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)N(C1CCCN(C1)C(=O)O)C(=O)C2=CC3=C(C=C2Cl)OC(C(=O)N3CCCCOC)(C)C(=O)N(C)CC4CCOCC4

DOS

IR

Vibrations