Geometry & MOs

Info

ID:

98697

PubChem CID:

50045809

Reduced:

FN6O6C39H45 (1)

Stoich.:

AB6C6D39E45 (1)

Weight, g/mol:

740.288924

ΔHf, kcal/mol:

-249.4

Dipole, Da:

13.33

IP(EA), eV:

 -8.72(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5)C(=O)N6CCOCC6

DOS

IR

Vibrations