Geometry & MOs

Info

ID:

92840

PubChem CID:

49989840

Reduced:

ClO5N6C35H45 (1)

Stoich.:

AB5C6D35E45 (1)

Weight, g/mol:

706.360946

ΔHf, kcal/mol:

-218.72

Dipole, Da:

8.09

IP(EA), eV:

 -9.09(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-1-[1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)C(=O)N)Cl

DOS

IR

Vibrations