Geometry & MOs

Info

ID:

117575

PubChem CID:

50607798

Reduced:

ClO5N6C31H33 (1)

Stoich.:

AB5C6D31E33 (1)

Weight, g/mol:

598.267046

ΔHf, kcal/mol:

-169.13

Dipole, Da:

7.41

IP(EA), eV:

 -8.38(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-1-[2-(5-carbamoyl-2-chloroanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)NC(=O)CNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N)Cl

DOS

IR

Vibrations