Geometry & MOs

Info

ID:

116943

PubChem CID:

50581604

Reduced:

ClN6O6C38H53 (1)

Stoich.:

AB6C6D38E53 (1)

Weight, g/mol:

746.335875

ΔHf, kcal/mol:

-282.82

Dipole, Da:

10.99

IP(EA), eV:

 -8.13(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-[1-[4-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)NC(=O)C4CCCCC4)OC)Cl

DOS

IR

Vibrations