Geometry & MOs

Info

ID:

98971

PubChem CID:

50047694

Reduced:

F2N5O5C37H37 (1)

Stoich.:

A2B5C5D37E37 (1)

Weight, g/mol:

702.334125

ΔHf, kcal/mol:

-222.31

Dipole, Da:

7.38

IP(EA), eV:

 -8.78(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[3-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC(=C4)NC(=O)C5=CC(=CC=C5)OC

DOS

IR

Vibrations