Geometry & MOs

Info

ID:

99411

PubChem CID:

50050658

Reduced:

F3O5N6C37H43 (1)

Stoich.:

A3B5C6D37E43 (1)

Weight, g/mol:

760.299631

ΔHf, kcal/mol:

-321.37

Dipole, Da:

6.8

IP(EA), eV:

 -8.85(-0.5)

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-[1-[2-fluoro-5-[[2-(4-fluorophenyl)acetyl]amino]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=CC(=C(C=C1)F)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=C(C=C4)F)F)C

DOS

IR

Vibrations