Geometry & MOs

Info

ID:

109014

PubChem CID:

50268738

Reduced:

O5N6C37H44 (1)

Stoich.:

A5B6C37D44 (1)

Weight, g/mol:

650.241974

ΔHf, kcal/mol:

-183.22

Dipole, Da:

7.99

IP(EA), eV:

 -8.57(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2-carbamoyl-4-chloroanilino)-1-oxopropan-2-yl]-1-[2-[4-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC(=CC=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC=CC=C5C)C

DOS

IR

Vibrations