Geometry & MOs

Info

ID:

110955

PubChem CID:

50345666

Reduced:

ClO5N6C31H41 (1)

Stoich.:

AB5C6D31E41 (1)

Weight, g/mol:

576.306018

ΔHf, kcal/mol:

-214.64

Dipole, Da:

4.74

IP(EA), eV:

 -9.0(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(4-carbamoylanilino)-2-oxoethyl]-1-[2-[2-methyl-3-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)N)C(=O)NCC(C)C

DOS

IR

Vibrations