Geometry & MOs

Info

ID:

116091

PubChem CID:

50546266

Reduced:

ClO5N6C34H43 (1)

Stoich.:

AB5C6D34E43 (1)

Weight, g/mol:

664.313996

ΔHf, kcal/mol:

-202.2

Dipole, Da:

7.27

IP(EA), eV:

 -9.04(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]-N-[1-[3-(cyclohexylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC(=C1)C(=O)NC2CCCC2)NC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCCC5

DOS

IR

Vibrations