Geometry & MOs

Info

ID:

112012

PubChem CID:

50391990

Reduced:

ClO5N6C33H43 (1)

Stoich.:

AB5C6D33E43 (1)

Weight, g/mol:

680.345296

ΔHf, kcal/mol:

-227.13

Dipole, Da:

8.13

IP(EA), eV:

 -8.75(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)Cl)NC(=O)C)C(=O)NC4CCCCC4

DOS

IR

Vibrations