Geometry & MOs

Info

ID:

100313

PubChem CID:

50059879

Reduced:

FO5N6C38H47 (1)

Stoich.:

AB5C6D38E47 (1)

Weight, g/mol:

756.324703

ΔHf, kcal/mol:

-244.16

Dipole, Da:

7.55

IP(EA), eV:

 -8.71(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[3-[(5-fluoro-2-methylphenyl)carbamoyl]anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NCC(C)C)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=CC(=C4)F)C)C

DOS

IR

Vibrations