Geometry & MOs

Info

ID:

108872

PubChem CID:

50262413

Reduced:

O5N6C35H40 (1)

Stoich.:

A5B6C35D40 (1)

Weight, g/mol:

718.329039

ΔHf, kcal/mol:

-160.56

Dipole, Da:

10.51

IP(EA), eV:

 -8.71(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[2-methyl-3-(morpholine-4-carbonyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=C(C=C5)C(=O)NC

DOS

IR

Vibrations