Geometry & MOs

Info

ID:

116676

PubChem CID:

50571161

Reduced:

ClN6O7C37H47 (1)

Stoich.:

AB6C7D37E47 (1)

Weight, g/mol:

736.335126

ΔHf, kcal/mol:

-276.8

Dipole, Da:

2.47

IP(EA), eV:

 -8.74(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[4-chloro-3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[5-(cyclohexylcarbamoyl)-2-methoxyphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=CC(=C(C=C5)Cl)C(=O)N6CCOCC6

DOS

IR

Vibrations