Geometry & MOs

Info

ID:

105252

PubChem CID:

50106754

Reduced:

FN6O6C33H37 (1)

Stoich.:

AB6C6D33E37 (1)

Weight, g/mol:

616.280946

ΔHf, kcal/mol:

-248.31

Dipole, Da:

2.3

IP(EA), eV:

 -8.21(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[1-[4-fluoro-3-[(3-methylbenzoyl)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=CC(=C(C=C3)NC(=O)C4=CC=CC=C4F)OC

DOS

IR

Vibrations