Geometry & MOs

Info

ID:

98240

PubChem CID:

50041087

Reduced:

ClF2N6O6C39H43 (1)

Stoich.:

AB2C6D6E39F43 (1)

Weight, g/mol:

712.374847

ΔHf, kcal/mol:

-297.45

Dipole, Da:

11.24

IP(EA), eV:

 -8.89(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)C(=O)N6CCOCC6)Cl

DOS

IR

Vibrations