Geometry & MOs

Info

ID:

98333

PubChem CID:

50042771

Reduced:

F2N6O6C39H40 (1)

Stoich.:

A2B6C6D39E40 (1)

Weight, g/mol:

662.302825

ΔHf, kcal/mol:

-263.5

Dipole, Da:

5.6

IP(EA), eV:

 -8.37(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-oxo-1-[4-(propan-2-ylcarbamoyl)anilino]propan-2-yl]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)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)OC)NC(=O)C5=CC=CC=C5C

DOS

IR

Vibrations