Geometry & MOs

Info

ID:

110551

PubChem CID:

50329903

Reduced:

F2O5N6C36H42 (1)

Stoich.:

A2B5C6D36E42 (1)

Weight, g/mol:

658.327897

ΔHf, kcal/mol:

-278.04

Dipole, Da:

10.47

IP(EA), eV:

 -8.98(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(2-fluorophenyl)carbamoyl]anilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=C(C=C3)C(=O)NC4=CC(=C(C=C4)F)F)C(=O)NC(C)C

DOS

IR

Vibrations