Geometry & MOs

Info

ID:

114213

PubChem CID:

50474565

Reduced:

FN5O6C36H40 (1)

Stoich.:

AB5C6D36E40 (1)

Weight, g/mol:

662.302825

ΔHf, kcal/mol:

-243.18

Dipole, Da:

7.97

IP(EA), eV:

 -8.4(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-[2-methyl-6-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC5=C(C=C4)OCCO5)C(=O)NC6=CC(=CC=C6)F

DOS

IR

Vibrations