Geometry & MOs

Info

ID:

98385

PubChem CID:

50043411

Reduced:

F3O5N6C33H35 (1)

Stoich.:

A3B5C6D33E35 (1)

Weight, g/mol:

732.268331

ΔHf, kcal/mol:

-307.08

Dipole, Da:

14.13

IP(EA), eV:

 -8.85(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-[2-fluoro-5-[[2-(4-fluorophenyl)acetyl]amino]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations