Geometry & MOs

Info

ID:

95802

PubChem CID:

50015230

Reduced:

F4O5N6C41H42 (1)

Stoich.:

A4B5C6D41E42 (1)

Weight, g/mol:

770.340353

ΔHf, kcal/mol:

-325.57

Dipole, Da:

8.25

IP(EA), eV:

 -9.27(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=CC(=C4C)C(=O)NC5=C(C=CC=C5F)F

DOS

IR

Vibrations