Geometry & MOs

Info

ID:

110341

PubChem CID:

50320707

Reduced:

FO5N6C44H49 (1)

Stoich.:

AB5C6D44E49 (1)

Weight, g/mol:

702.354111

ΔHf, kcal/mol:

-204.37

Dipole, Da:

9.02

IP(EA), eV:

 -8.72(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-fluoro-3-[(3-methoxybenzoyl)amino]anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=CC=CC=C2C)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=C(C=C5)C(=O)NC6=CC(=C(C=C6)C)F)C

DOS

IR

Vibrations