Geometry & MOs

Info

ID:

105174

PubChem CID:

50106550

Reduced:

FN6O6C33H37 (1)

Stoich.:

AB6C6D33E37 (1)

Weight, g/mol:

620.255875

ΔHf, kcal/mol:

-244.21

Dipole, Da:

8.26

IP(EA), eV:

 -8.84(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[1-[2-fluoro-5-[(2-fluorobenzoyl)amino]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=CC(=C3)NC(=O)C4=CC=C(C=C4)OC)F

DOS

IR

Vibrations