Geometry & MOs

Info

ID:

110654

PubChem CID:

50334000

Reduced:

O5N6C36H48 (1)

Stoich.:

A5B6C36D48 (1)

Weight, g/mol:

674.298346

ΔHf, kcal/mol:

-208.09

Dipole, Da:

9.11

IP(EA), eV:

 -8.82(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-[(4-chlorobenzoyl)amino]anilino]-3-oxopropyl]-1-[2-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC=C3C(=O)NC4CCCCC4)C(=O)N5CCCC5

DOS

IR

Vibrations