Geometry & MOs

Info

ID:

94201

PubChem CID:

49999003

Reduced:

FN6O6C36H43 (1)

Stoich.:

AB6C6D36E43 (1)

Weight, g/mol:

658.327897

ΔHf, kcal/mol:

-260.58

Dipole, Da:

4.15

IP(EA), eV:

 -8.74(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-[2-fluoro-5-[(2-methylbenzoyl)amino]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)NC(=O)C4=CC=C(C=C4)OC)F

DOS

IR

Vibrations