Geometry & MOs

Info

ID:

110571

PubChem CID:

50330385

Reduced:

O5N6C37H44 (1)

Stoich.:

A5B6C37D44 (1)

Weight, g/mol:

672.343547

ΔHf, kcal/mol:

-166.22

Dipole, Da:

7.66

IP(EA), eV:

 -8.5(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-[(2-fluoro-4-methylphenyl)carbamoyl]-6-methylanilino]-2-oxoethyl]-1-[1-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)N(C)C)NC(=O)C5=CC=CC=C5

DOS

IR

Vibrations