Geometry & MOs

Info

ID:

113544

PubChem CID:

50449842

Reduced:

ClF2O5N6C35H37 (1)

Stoich.:

AB2C5D6E35F37 (1)

Weight, g/mol:

660.306018

ΔHf, kcal/mol:

-250.48

Dipole, Da:

11.05

IP(EA), eV:

 -8.95(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-3-(phenylcarbamoyl)anilino]-2-oxoethyl]-N-[3-oxo-3-[2-(phenylcarbamoyl)anilino]propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)Cl)C(=O)N4CCCC4)C(=O)NC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations