Geometry & MOs

Info

ID:

114507

PubChem CID:

50485480

Reduced:

FO5N6C39H47 (1)

Stoich.:

AB5C6D39E47 (1)

Weight, g/mol:

720.320224

ΔHf, kcal/mol:

-237.32

Dipole, Da:

5.98

IP(EA), eV:

 -9.08(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC=CC=C2NC(=O)C(C)NC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)NC5=CC(=CC=C5)F

DOS

IR

Vibrations