Geometry & MOs

Info

ID:

108406

PubChem CID:

50244042

Reduced:

ClF2O4N5C35H40 (1)

Stoich.:

AB2C4D5E35F40 (1)

Weight, g/mol:

728.293403

ΔHf, kcal/mol:

-237.83

Dipole, Da:

2.32

IP(EA), eV:

 -9.03(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-fluoro-5-[(3-fluorobenzoyl)amino]anilino]-2-oxoethyl]-1-[1-[4-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C(=CC=C4)Cl)C

DOS

IR

Vibrations