Geometry & MOs

Info

ID:

115979

PubChem CID:

50542325

Reduced:

ClO5N6C35H47 (1)

Stoich.:

AB5C6D35E47 (1)

Weight, g/mol:

624.282696

ΔHf, kcal/mol:

-229.68

Dipole, Da:

11.26

IP(EA), eV:

 -8.79(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(piperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[1-[2-methyl-6-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC=CC(=C1NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCCCC4)C

DOS

IR

Vibrations