Geometry & MOs

Info

ID:

111575

PubChem CID:

50373286

Reduced:

ClO5N6C41H55 (1)

Stoich.:

AB5C6D41E55 (1)

Weight, g/mol:

720.340211

ΔHf, kcal/mol:

-229.12

Dipole, Da:

7.2

IP(EA), eV:

 -8.75(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCCC5)Cl)C(=O)NC6CCCCC6

DOS

IR

Vibrations