Geometry & MOs

Info

ID:

111385

PubChem CID:

50363996

Reduced:

ClO5N6C41H51 (1)

Stoich.:

AB5C6D41E51 (1)

Weight, g/mol:

722.392247

ΔHf, kcal/mol:

-198.6

Dipole, Da:

7.25

IP(EA), eV:

 -8.32(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-3-(diethylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-3-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=C(C=C4)NC(=O)C5=CC(=CC=C5)Cl)C

DOS

IR

Vibrations