Geometry & MOs

Info

ID:

110278

PubChem CID:

50318634

Reduced:

FO5N6C35H41 (1)

Stoich.:

AB5C6D35E41 (1)

Weight, g/mol:

644.312247

ΔHf, kcal/mol:

-231.53

Dipole, Da:

2.11

IP(EA), eV:

 -8.72(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-fluoro-5-[(4-methylbenzoyl)amino]anilino]-2-oxoethyl]-1-[2-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)CNC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)NC(C)C)F

DOS

IR

Vibrations