Geometry & MOs

Info

ID:

98122

PubChem CID:

50039995

Reduced:

F2O5N6C40H42 (1)

Stoich.:

A2B5C6D40E42 (1)

Weight, g/mol:

718.365425

ΔHf, kcal/mol:

-239.54

Dipole, Da:

13.44

IP(EA), eV:

 -8.65(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-methyl-1-[2-methyl-6-(2-methylpropylcarbamoyl)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC(=CC=C5)F)C

DOS

IR

Vibrations