Geometry & MOs

Info

ID:

99879

PubChem CID:

50055827

Reduced:

ClF2O5N6C38H41 (1)

Stoich.:

AB2C5D6E38F41 (1)

Weight, g/mol:

714.354111

ΔHf, kcal/mol:

-258.39

Dipole, Da:

9.81

IP(EA), eV:

 -8.98(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[2-methyl-4-(morpholine-4-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)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)C(=O)N6CCCC6)Cl

DOS

IR

Vibrations