Geometry & MOs

Info

ID:

111153

PubChem CID:

50354510

Reduced:

ClO4N5C36H48 (1)

Stoich.:

AB4C5D36E48 (1)

Weight, g/mol:

652.313996

ΔHf, kcal/mol:

-192.97

Dipole, Da:

4.36

IP(EA), eV:

 -8.8(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-chloro-5-(2-methylbutanoylamino)anilino]-2-oxoethyl]-1-[2-[2-methyl-3-(piperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)NC(=O)C5CCCCC5)Cl)C

DOS

IR

Vibrations