Geometry & MOs

Info

ID:

116972

PubChem CID:

50583100

Reduced:

ClO5N6C42H59 (1)

Stoich.:

AB5C6D42E59 (1)

Weight, g/mol:

776.346439

ΔHf, kcal/mol:

-254.73

Dipole, Da:

8.39

IP(EA), eV:

 -8.81(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-[1-[4-fluoro-3-[(2-methoxybenzoyl)amino]anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC=C4C(=O)NC5CCCCC5C)C)Cl

DOS

IR

Vibrations