Geometry & MOs

Info

ID:

98656

PubChem CID:

50045623

Reduced:

F4N5O5C35H37 (1)

Stoich.:

A4B5C5D35E37 (1)

Weight, g/mol:

742.309053

ΔHf, kcal/mol:

-371.76

Dipole, Da:

13.31

IP(EA), eV:

 -8.65(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-fluoro-5-[[2-(4-fluorophenyl)acetyl]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=C5OC(F)(F)F

DOS

IR

Vibrations