Geometry & MOs

Info

ID:

120434

PubChem CID:

50726862

Reduced:

ClN6O6C35H39 (1)

Stoich.:

AB6C6D35E39 (1)

Weight, g/mol:

706.304574

ΔHf, kcal/mol:

-205.78

Dipole, Da:

6.09

IP(EA), eV:

 -8.85(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-[3-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)Cl

DOS

IR

Vibrations